CID 67184

N-bromosuccinimide

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
C1CC(=O)N(C1=O)Br
InChI
InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKey
PCLIMKBDDGJMGD-UHFFFAOYSA-N
Compound name
1-bromopyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

468
References

11848
Patents

176.94254 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.94982 125.7
[M+Na]+ 199.93176 138.8
[M-H]- 175.93526 131.1
[M+NH4]+ 194.97636 150.0
[M+K]+ 215.90570 129.3
[M+H-H2O]+ 159.93980 126.4
[M+HCOO]- 221.94074 146.8
[M+CH3COO]- 235.95639 175.3
[M+Na-2H]- 197.91721 132.0
[M]+ 176.94199 142.9
[M]- 176.94309 142.9
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