CID 22946839

2-nitroethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C2H4ClNO4S
SMILES
C(CS(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C2H4ClNO4S/c3-9(7,8)2-1-4(5)6/h1-2H2
InChIKey
FEKOETYNDSDXCS-UHFFFAOYSA-N
Compound name
2-nitroethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.95496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.96224 127.0
[M+Na]+ 195.94418 135.7
[M-H]- 171.94768 128.1
[M+NH4]+ 190.98878 147.6
[M+K]+ 211.91812 129.6
[M+H-H2O]+ 155.95222 128.6
[M+HCOO]- 217.95316 142.5
[M+CH3COO]- 231.96881 166.2
[M+Na-2H]- 193.92963 134.2
[M]+ 172.95441 129.6
[M]- 172.95551 129.6
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