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]+ 182.061186 133.9
[M+Na]+ 204.043128 142.8
[M-H]- 180.046634 136.9
[M+NH4]+ 199.087733 154.0
[M+K]+ 220.017068 140.7
[M+H-H2O]+ 164.051170 127.4
[M+HCOO]- 226.052111 158.4
[M+CH3COO]- 240.067761 183.6
[M+Na-2H]- 202.028576 139.3
[M]+ 181.05336142 133.5
[M]- 181.05445858 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.