CID 139597175

Ns00074562

Structural Information

Molecular Formula
C11H3F17O4
SMILES
C(C(=O)O)(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11H3F17O4/c12-1(2(29)30)4(13,14)6(17,18)8(21,22)10(25,26)11(27,28)9(23,24)7(19,20)5(15,16)3(31)32/h1H,(H,29,30)(H,31,32)
InChIKey
SVYFBQKZSGNGTM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

521.976 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.98328 168.3
[M+Na]+ 544.96522 173.0
[M-H]- 520.96872 179.4
[M+NH4]+ 540.00982 179.3
[M+K]+ 560.93916 181.7
[M+H-H2O]+ 504.97326 157.9
[M+HCOO]- 566.97420 181.1
[M+CH3COO]- 580.98985 236.4
[M+Na-2H]- 542.95067 167.4
[M]+ 521.97545 165.5
[M]- 521.97655 165.5
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.