CID 17750763

3,5-difluoro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6F2O3
SMILES
COC1=C(C=C(C=C1F)F)C(=O)O
InChI
InChI=1S/C8H6F2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKey
MEVHLVDNBMQMNH-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

188.0285 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03578 131.4
[M+Na]+ 211.01772 141.7
[M-H]- 187.02122 132.2
[M+NH4]+ 206.06232 151.0
[M+K]+ 226.99166 139.8
[M+H-H2O]+ 171.02576 124.7
[M+HCOO]- 233.02670 152.6
[M+CH3COO]- 247.04235 180.7
[M+Na-2H]- 209.00317 135.3
[M]+ 188.02795 131.0
[M]- 188.02905 131.0
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