CID 22087431

Methyl 2,6-difluoro-4-hydroxybenzoate

Structural Information

Molecular Formula
C8H6F2O3
SMILES
COC(=O)C1=C(C=C(C=C1F)O)F
InChI
InChI=1S/C8H6F2O3/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3,11H,1H3
InChIKey
ZPVGRBTXDTZVIG-UHFFFAOYSA-N
Compound name
methyl 2,6-difluoro-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
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 131.6
[M+Na]+ 211.01772 142.0
[M-H]- 187.02122 132.4
[M+NH4]+ 206.06232 151.3
[M+K]+ 226.99166 140.1
[M+H-H2O]+ 171.02576 125.0
[M+HCOO]- 233.02670 152.8
[M+CH3COO]- 247.04235 180.0
[M+Na-2H]- 209.00317 135.5
[M]+ 188.02795 131.1
[M]- 188.02905 131.1
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