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
2
Annotation Hits

0
References

59
Patents

184.05357 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 133.6
[M+Na]+ 207.042788 143.0
[M-H]- 183.046294 136.7
[M+NH4]+ 202.087393 153.9
[M+K]+ 223.016728 142.2
[M+H-H2O]+ 167.050830 127.3
[M+HCOO]- 229.051771 157.1
[M+CH3COO]- 243.067421 181.7
[M+Na-2H]- 205.028236 138.8
[M]+ 184.05302142 136.1
[M]- 184.05411858 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