CID 131425804

4-chloro-3-formyl-n-methylbenzamide

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CNC(=O)C1=CC(=C(C=C1)Cl)C=O
InChI
InChI=1S/C9H8ClNO2/c1-11-9(13)6-2-3-8(10)7(4-6)5-12/h2-5H,1H3,(H,11,13)
InChIKey
ADNICSPFZLNYNP-UHFFFAOYSA-N
Compound name
4-chloro-3-formyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 137.7
[M+Na]+ 220.013568 147.3
[M-H]- 196.017074 142.0
[M+NH4]+ 215.058173 158.0
[M+K]+ 235.987508 143.6
[M+H-H2O]+ 180.021610 133.1
[M+HCOO]- 242.022551 158.7
[M+CH3COO]- 256.038201 184.7
[M+Na-2H]- 217.999016 143.1
[M]+ 197.02380142 140.5
[M]- 197.02489858 140.5
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.