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

15
Patents

184.05357 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 133.5
[M+Na]+ 207.042788 143.4
[M-H]- 183.046294 135.6
[M+NH4]+ 202.087393 153.5
[M+K]+ 223.016728 141.8
[M+H-H2O]+ 167.050830 127.7
[M+HCOO]- 229.051771 155.5
[M+CH3COO]- 243.067421 180.3
[M+Na-2H]- 205.028236 137.5
[M]+ 184.05302142 134.6
[M]- 184.05411858 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