CID 69632

2-bromoacetamide

Structural Information

Molecular Formula
C2H4BrNO
SMILES
C(C(=O)N)Br
InChI
InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
JUIKUQOUMZUFQT-UHFFFAOYSA-N
Compound name
2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

21734
Patents

136.94763 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.954906 117.9
[M+Na]+ 159.936848 129.2
[M-H]- 135.940354 120.9
[M+NH4]+ 154.981453 142.3
[M+K]+ 175.910788 119.6
[M+H-H2O]+ 119.944890 118.4
[M+HCOO]- 181.945831 140.1
[M+CH3COO]- 195.961481 172.3
[M+Na-2H]- 157.922296 125.9
[M]+ 136.94708142 134.2
[M]- 136.94817858 134.2
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