CID 24971957

Methyl 2-fluoro-5-formylbenzoate

Structural Information

Molecular Formula
C9H7FO3
SMILES
COC(=O)C1=C(C=CC(=C1)C=O)F
InChI
InChI=1S/C9H7FO3/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-5H,1H3
InChIKey
PMWMARHAHYBCLQ-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-5-formylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

182.03792 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 132.0
[M+Na]+ 205.02714 141.7
[M-H]- 181.03064 135.2
[M+NH4]+ 200.07174 152.4
[M+K]+ 221.00108 140.3
[M+H-H2O]+ 165.03518 125.8
[M+HCOO]- 227.03612 155.7
[M+CH3COO]- 241.05177 180.8
[M+Na-2H]- 203.01259 137.2
[M]+ 182.03737 133.9
[M]- 182.03847 133.9
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