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

45
Patents

133.01974 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 131.3
[M+Na]+ 156.00896 141.5
[M-H]- 132.01246 131.7
[M+NH4]+ 151.05356 151.0
[M+K]+ 171.98290 140.1
[M+H-H2O]+ 116.01700 121.0
[M+HCOO]- 178.01794 144.6
[M+CH3COO]- 192.03359 178.6
[M+Na-2H]- 153.99441 134.5
[M]+ 133.01919 127.0
[M]- 133.02029 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