CID 63943640

But-2-yne-1-sulfonamide

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CC#CCS(=O)(=O)N
InChI
InChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h4H2,1H3,(H2,5,6,7)
InChIKey
DXRISXVDZWCHIU-UHFFFAOYSA-N
Compound name
but-2-yne-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

133.01974 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 131.3
[M+Na]+ 156.008958 141.5
[M-H]- 132.012464 131.7
[M+NH4]+ 151.053563 151.0
[M+K]+ 171.982898 140.1
[M+H-H2O]+ 116.017000 121.0
[M+HCOO]- 178.017941 144.6
[M+CH3COO]- 192.033591 178.6
[M+Na-2H]- 153.994406 134.5
[M]+ 133.01919142 127.0
[M]- 133.02028858 127.0
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