CID 12943997

2,3,4,5-tetrafluoro-6-methylbenzoic acid

Structural Information

Molecular Formula
C8H4F4O2
SMILES
CC1=C(C(=C(C(=C1F)F)F)F)C(=O)O
InChI
InChI=1S/C8H4F4O2/c1-2-3(8(13)14)5(10)7(12)6(11)4(2)9/h1H3,(H,13,14)
InChIKey
JKNZPDHVRYPABM-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluoro-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

208.01474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02202 132.5
[M+Na]+ 231.00396 144.7
[M-H]- 207.00746 131.2
[M+NH4]+ 226.04856 151.7
[M+K]+ 246.97790 141.5
[M+H-H2O]+ 191.01200 124.6
[M+HCOO]- 253.01294 151.2
[M+CH3COO]- 267.02859 186.8
[M+Na-2H]- 228.98941 133.8
[M]+ 208.01419 128.9
[M]- 208.01529 128.9
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

patents stripe