CID 282245

N-tert-butyl-1-chloromethanesulfonamide

Structural Information

Molecular Formula
C5H12ClNO2S
SMILES
CC(C)(C)NS(=O)(=O)CCl
InChI
InChI=1S/C5H12ClNO2S/c1-5(2,3)7-10(8,9)4-6/h7H,4H2,1-3H3
InChIKey
VZAHIKRUKJZYOE-UHFFFAOYSA-N
Compound name
N-tert-butyl-1-chloromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

185.02773 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03501 141.0
[M+Na]+ 208.01695 149.9
[M+NH4]+ 203.06155 148.3
[M+K]+ 223.99089 143.9
[M-H]- 184.02045 139.2
[M+Na-2H]- 206.00240 143.5
[M]+ 185.02718 142.3
[M]- 185.02828 142.3
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