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

102
Patents

208.01474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.022016 132.5
[M+Na]+ 231.003958 144.7
[M-H]- 207.007464 131.2
[M+NH4]+ 226.048563 151.7
[M+K]+ 246.977898 141.5
[M+H-H2O]+ 191.012000 124.6
[M+HCOO]- 253.012941 151.2
[M+CH3COO]- 267.028591 186.8
[M+Na-2H]- 228.989406 133.8
[M]+ 208.01419142 128.9
[M]- 208.01528858 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