CID 2778228

2,6-difluoro-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6F2O3
SMILES
COC1=CC(=C(C(=C1)F)C(=O)O)F
InChI
InChI=1S/C8H6F2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12)
InChIKey
LGHVYSAINQRZJQ-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
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

literature stripe

Patent stripe

patents stripe