CID 4353

N-bromoacetamide

Structural Information

Molecular Formula
C2H4BrNO
SMILES
CC(=O)NBr
InChI
InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)
InChIKey
VBTQNRFWXBXZQR-UHFFFAOYSA-N
Compound name
N-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

67
References

7024
Patents

136.94763 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.95491 117.2
[M+Na]+ 159.93685 128.6
[M-H]- 135.94035 120.8
[M+NH4]+ 154.98145 141.9
[M+K]+ 175.91079 119.4
[M+H-H2O]+ 119.94489 117.8
[M+HCOO]- 181.94583 140.0
[M+CH3COO]- 195.96148 172.3
[M+Na-2H]- 157.92230 126.2
[M]+ 136.94708 134.4
[M]- 136.94818 134.4
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.