CID 167722340

Methyl 3-(difluoromethyl)-5-hydroxybenzoate

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC(=O)C1=CC(=CC(=C1)C(F)F)O
InChI
InChI=1S/C9H8F2O3/c1-14-9(13)6-2-5(8(10)11)3-7(12)4-6/h2-4,8,12H,1H3
InChIKey
QJUYSCAEOMKMKU-UHFFFAOYSA-N
Compound name
methyl 3-(difluoromethyl)-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04414 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 137.2
[M+Na]+ 225.03336 145.9
[M-H]- 201.03686 137.5
[M+NH4]+ 220.07796 155.9
[M+K]+ 241.00730 144.2
[M+H-H2O]+ 185.04140 130.1
[M+HCOO]- 247.04234 157.0
[M+CH3COO]- 261.05799 182.7
[M+Na-2H]- 223.01881 139.9
[M]+ 202.04359 136.0
[M]- 202.04469 136.0
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

No patent data available for this compound.