CID 55265589

Methyl 3-fluoro-5-hydroxy-4-methylbenzoate

Structural Information

Molecular Formula
C9H9FO3
SMILES
CC1=C(C=C(C=C1F)C(=O)OC)O
InChI
InChI=1S/C9H9FO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChIKey
XGUDTZGRCCTTMQ-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.05357 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 133.5
[M+Na]+ 207.04279 143.4
[M-H]- 183.04629 135.6
[M+NH4]+ 202.08739 153.5
[M+K]+ 223.01673 141.8
[M+H-H2O]+ 167.05083 127.7
[M+HCOO]- 229.05177 155.5
[M+CH3COO]- 243.06742 180.3
[M+Na-2H]- 205.02824 137.5
[M]+ 184.05302 134.6
[M]- 184.05412 134.6
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