CID 592847

Methyl 4-fluoro-3-methoxybenzoate

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC1=C(C=CC(=C1)C(=O)OC)F
InChI
InChI=1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKey
BKTVDAXZKFVQPF-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

184.05357 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 133.6
[M+Na]+ 207.04279 143.0
[M-H]- 183.04629 136.7
[M+NH4]+ 202.08739 153.9
[M+K]+ 223.01673 142.2
[M+H-H2O]+ 167.05083 127.3
[M+HCOO]- 229.05177 157.1
[M+CH3COO]- 243.06742 181.7
[M+Na-2H]- 205.02824 138.8
[M]+ 184.05302 136.1
[M]- 184.05412 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe