CID 3073259

D-galactose 6-(sodium 1-(perfluorooctyl)-3-dodecyl phosphate)

Structural Information

Molecular Formula
C26H36F17O9P
SMILES
CCCCCCCCCC(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(=O)(O)OC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O
InChI
InChI=1S/C26H36F17O9P/c1-2-3-4-5-6-7-8-9-14(52-53(49,50)51-13-16(46)18(48)17(47)15(45)12-44)10-11-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h12,14-18,45-48H,2-11,13H2,1H3,(H,49,50)/t14?,15-,16+,17+,18-/m0/s1
InChIKey
AMNJVDRFQLXUGQ-WBUQSJCKSA-N
Compound name
13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptadecafluoroicosan-10-yl [(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

846.18256 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.18984 246.3
[M+Na]+ 869.17178 243.4
[M-H]- 845.17528 257.7
[M+NH4]+ 864.21638 257.7
[M+K]+ 885.14572 258.1
[M+H-H2O]+ 829.17982 225.2
[M+HCOO]- 891.18076 245.1
[M+CH3COO]- 905.19641 279.4
[M+Na-2H]- 867.15723 233.5
[M]+ 846.18201 244.0
[M]- 846.18311 244.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.