CID 21255685

Methyl 2-fluoro-4-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

184.05357 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe