CID 131572092

2-fluoro-3-formyl-n-methylbenzamide

Structural Information

Molecular Formula
C9H8FNO2
SMILES
CNC(=O)C1=CC=CC(=C1F)C=O
InChI
InChI=1S/C9H8FNO2/c1-11-9(13)7-4-2-3-6(5-12)8(7)10/h2-5H,1H3,(H,11,13)
InChIKey
XCFPDGGAUQUUHL-UHFFFAOYSA-N
Compound name
2-fluoro-3-formyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 133.9
[M+Na]+ 204.04313 142.8
[M-H]- 180.04663 136.9
[M+NH4]+ 199.08773 154.0
[M+K]+ 220.01707 140.7
[M+H-H2O]+ 164.05117 127.4
[M+HCOO]- 226.05211 158.4
[M+CH3COO]- 240.06776 183.6
[M+Na-2H]- 202.02858 139.3
[M]+ 181.05336 133.5
[M]- 181.05446 133.5
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

No patent data available for this compound.