CID 17763196

5:2 fluorotelomer carboxylic acid

Structural Information

Molecular Formula
C7H3F11O2
SMILES
C(C(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O2/c8-3(9,1-2(19)20)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H2,(H,19,20)
InChIKey
KDHKNZMUAYFSHV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

327.99573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00301 156.1
[M+Na]+ 350.98495 164.9
[M-H]- 326.98845 142.6
[M+NH4]+ 346.02955 168.4
[M+K]+ 366.95889 162.3
[M+H-H2O]+ 310.99299 144.4
[M+HCOO]- 372.99393 158.4
[M+CH3COO]- 387.00958 205.3
[M+Na-2H]- 348.97040 159.2
[M]+ 327.99518 139.0
[M]- 327.99628 139.0
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

patents stripe