CID 13142426

Cyanomethanesulfonyl chloride

Structural Information

Molecular Formula
C2H2ClNO2S
SMILES
C(C#N)S(=O)(=O)Cl
InChI
InChI=1S/C2H2ClNO2S/c3-7(5,6)2-1-4/h2H2
InChIKey
QSOXEHOYDPAXTG-UHFFFAOYSA-N
Compound name
cyanomethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

138.94948 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.95676 126.4
[M+Na]+ 161.93870 138.5
[M-H]- 137.94220 129.0
[M+NH4]+ 156.98330 147.5
[M+K]+ 177.91264 136.7
[M+H-H2O]+ 121.94674 117.2
[M+HCOO]- 183.94768 138.2
[M+CH3COO]- 197.96333 180.4
[M+Na-2H]- 159.92415 131.7
[M]+ 138.94893 125.6
[M]- 138.95003 125.6
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