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
4
Annotation Hits

67
References

7047
Patents

136.94763 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.954906 117.2
[M+Na]+ 159.936848 128.6
[M-H]- 135.940354 120.8
[M+NH4]+ 154.981453 141.9
[M+K]+ 175.910788 119.4
[M+H-H2O]+ 119.944890 117.8
[M+HCOO]- 181.945831 140.0
[M+CH3COO]- 195.961481 172.3
[M+Na-2H]- 157.922296 126.2
[M]+ 136.94708142 134.4
[M]- 136.94817858 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

literature stripe

Patent stripe

patents stripe