CID 90422

Methanesulfonyl cyanide

Structural Information

Molecular Formula
C2H3NO2S
SMILES
CS(=O)(=O)C#N
InChI
InChI=1S/C2H3NO2S/c1-6(4,5)2-3/h1H3
InChIKey
QEIOAAJCOKZGDV-UHFFFAOYSA-N
Compound name
methylsulfonylformonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

104.98845 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.99573 120.9
[M+Na]+ 127.97767 132.2
[M-H]- 103.98117 123.4
[M+NH4]+ 123.02227 142.4
[M+K]+ 143.95161 132.4
[M+H-H2O]+ 87.985710 110.7
[M+HCOO]- 149.98665 136.7
[M+CH3COO]- 164.00230 176.9
[M+Na-2H]- 125.96312 126.5
[M]+ 104.98790 118.6
[M]- 104.98900 118.6
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