CID 137653

2596-93-2

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC=C(C(=C1)NC=O)Cl
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-5H,(H,9,10)
InChIKey
DGRDTMLQUWBPSM-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

696
Patents

155.0138 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 126.8
[M+Na]+ 178.00302 136.2
[M-H]- 154.00652 130.7
[M+NH4]+ 173.04762 148.5
[M+K]+ 193.97696 132.6
[M+H-H2O]+ 138.01106 122.2
[M+HCOO]- 200.01200 148.9
[M+CH3COO]- 214.02765 176.2
[M+Na-2H]- 175.98847 135.2
[M]+ 155.01325 128.3
[M]- 155.01435 128.3
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

patents stripe