CID 86211492

10:10 perfluorophosphinate

Structural Information

Molecular Formula
C18HF38O2P
SMILES
C(C(C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18HF38O2P/c19-1(20,3(23,24)7(31,32)11(39,40)15(47,48)49)2(21,22)5(27,28)9(35,36)13(43,44)17(53,54)59(57,58)18(55,56)14(45,46)10(37,38)6(29,30)4(25,26)8(33,34)12(41,42)16(50,51)52/h(H,57,58)
InChIKey
UTGAGDCMDRUBTA-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1001.91077 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1002.9180 252.3
[M+Na]+ 1024.9000 252.7
[M-H]- 1000.9035 265.5
[M+NH4]+ 1019.9446 263.2
[M+K]+ 1040.8739 267.3
[M+H-H2O]+ 984.90803 237.2
[M+HCOO]- 1046.9090 264.6
[M+CH3COO]- 1060.9246 275.0
[M+Na-2H]- 1022.8854 254.1
[M]+ 1001.9102 246.6
[M]- 1001.9113 246.6
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.