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

73
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 136.5
[M+Na]+ 208.01695 145.0
[M-H]- 184.02045 137.5
[M+NH4]+ 203.06155 157.6
[M+K]+ 223.99089 142.2
[M+H-H2O]+ 168.02499 133.3
[M+HCOO]- 230.02593 149.3
[M+CH3COO]- 244.04158 178.9
[M+Na-2H]- 206.00240 141.8
[M]+ 185.02718 140.5
[M]- 185.02828 140.5
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