CID 3627600

6-chloro-perfluorohexanoic acid

Structural Information

Molecular Formula
C6HClF10O2
SMILES
C(=O)(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HClF10O2/c7-6(16,17)5(14,15)4(12,13)3(10,11)2(8,9)1(18)19/h(H,18,19)
InChIKey
ZDHGZQAAGQRUQT-UHFFFAOYSA-N
Compound name
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

329.95053 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.95781 149.4
[M+Na]+ 352.93975 159.3
[M-H]- 328.94325 137.4
[M+NH4]+ 347.98435 162.8
[M+K]+ 368.91369 155.2
[M+H-H2O]+ 312.94779 139.5
[M+HCOO]- 374.94873 149.2
[M+CH3COO]- 388.96438 203.7
[M+Na-2H]- 350.92520 153.8
[M]+ 329.94998 135.9
[M]- 329.95108 135.9
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.