CID 84653639

3-fluoro-6-hydroxy-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
CC1=C(C=CC(=C1C(=O)O)O)F
InChI
InChI=1S/C8H7FO3/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
YEPGHEPXNPCWLD-UHFFFAOYSA-N
Compound name
3-fluoro-6-hydroxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.03792 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 129.5
[M+Na]+ 193.027138 139.3
[M-H]- 169.030644 130.3
[M+NH4]+ 188.071743 149.2
[M+K]+ 209.001078 136.9
[M+H-H2O]+ 153.035180 124.1
[M+HCOO]- 215.036121 150.2
[M+CH3COO]- 229.051771 175.4
[M+Na-2H]- 191.012586 133.4
[M]+ 170.03737142 128.3
[M]- 170.03846858 128.3
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