CID 9793959

2-fluoro-4-(hydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=C(C=C1CO)F)C(=O)O
InChI
InChI=1S/C8H7FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
ZCRWSMHXYHEAQD-UHFFFAOYSA-N
Compound name
2-fluoro-4-(hydroxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

170.03792 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 130.3
[M+Na]+ 193.027138 139.1
[M-H]- 169.030644 130.6
[M+NH4]+ 188.071743 149.6
[M+K]+ 209.001078 136.7
[M+H-H2O]+ 153.035180 124.6
[M+HCOO]- 215.036121 151.0
[M+CH3COO]- 229.051771 174.2
[M+Na-2H]- 191.012586 134.9
[M]+ 170.03737142 128.7
[M]- 170.03846858 128.7
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