CID 4154641

N-(2-bromophenyl)-2-cyanoacetamide

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC=C(C(=C1)NC(=O)CC#N)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKey
IBHCCLKPASINHW-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.97418 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 142.1
[M+Na]+ 260.963398 154.5
[M-H]- 236.966904 146.5
[M+NH4]+ 256.008003 160.7
[M+K]+ 276.937338 142.9
[M+H-H2O]+ 220.971440 134.6
[M+HCOO]- 282.972381 162.9
[M+CH3COO]- 296.988031 200.9
[M+Na-2H]- 258.948846 148.8
[M]+ 237.97363142 153.3
[M]- 237.97472858 153.3
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