CID 42920713

438191-85-6

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)
InChIKey
BSWWNBRWXMIKLR-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylpropanoylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

275.0383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 157.8
[M+Na]+ 298.02752 166.1
[M-H]- 274.03102 162.0
[M+NH4]+ 293.07212 175.3
[M+K]+ 314.00146 161.9
[M+H-H2O]+ 258.03556 153.2
[M+HCOO]- 320.03650 170.0
[M+CH3COO]- 334.05215 194.7
[M+Na-2H]- 296.01297 161.8
[M]+ 275.03775 162.5
[M]- 275.03885 162.5
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