CID 31398

N-chlorosuccinimide

Structural Information

Molecular Formula
C4H4ClNO2
SMILES
C1CC(=O)N(C1=O)Cl
InChI
InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKey
JRNVZBWKYDBUCA-UHFFFAOYSA-N
Compound name
1-chloropyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

95
References

105918
Patents

132.99306 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.000336 120.8
[M+Na]+ 155.982278 131.3
[M-H]- 131.985784 123.4
[M+NH4]+ 151.026883 144.2
[M+K]+ 171.956218 129.0
[M+H-H2O]+ 115.990320 116.4
[M+HCOO]- 177.991261 139.6
[M+CH3COO]- 192.006911 168.1
[M+Na-2H]- 153.967726 125.5
[M]+ 132.99251142 121.1
[M]- 132.99360858 121.1
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