CID 122163348

2-(3-methyl-3h-diazirin-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H7ClN2O2S
SMILES
CC1(N=N1)CCS(=O)(=O)Cl
InChI
InChI=1S/C4H7ClN2O2S/c1-4(6-7-4)2-3-10(5,8)9/h2-3H2,1H3
InChIKey
DIYWZDFJXMHDLU-UHFFFAOYSA-N
Compound name
2-(3-methyldiazirin-3-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.99167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99895 135.3
[M+Na]+ 204.98089 147.5
[M-H]- 180.98439 137.8
[M+NH4]+ 200.02549 151.0
[M+K]+ 220.95483 144.1
[M+H-H2O]+ 164.98893 130.4
[M+HCOO]- 226.98987 148.2
[M+CH3COO]- 241.00552 178.0
[M+Na-2H]- 202.96634 142.0
[M]+ 181.99112 143.6
[M]- 181.99222 143.6
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

patents stripe