CID 521184

Methyl 3-fluorobenzoate

Structural Information

Molecular Formula
C8H7FO2
SMILES
COC(=O)C1=CC(=CC=C1)F
InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
YXZNVLYXBIIIOB-UHFFFAOYSA-N
Compound name
methyl 3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

154.04301 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 129.6
[M+Na]+ 177.03223 142.0
[M+NH4]+ 172.07683 137.7
[M+K]+ 193.00617 136.1
[M-H]- 153.03573 130.1
[M+Na-2H]- 175.01768 136.3
[M]+ 154.04246 131.4
[M]- 154.04356 131.4
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

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