CID 9942744

5-chloro-n,n,2-trimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC1=C(C=C(C=C1)Cl)S(=O)(=O)N(C)C
InChI
InChI=1S/C9H12ClNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3
InChIKey
CRRKMBPWCSXDGH-UHFFFAOYSA-N
Compound name
5-chloro-N,N,2-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.02773 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 145.2
[M+Na]+ 256.01695 155.2
[M-H]- 232.02045 151.3
[M+NH4]+ 251.06155 165.4
[M+K]+ 271.99089 152.0
[M+H-H2O]+ 216.02499 140.6
[M+HCOO]- 278.02593 160.6
[M+CH3COO]- 292.04158 192.2
[M+Na-2H]- 254.00240 148.8
[M]+ 233.02718 151.4
[M]- 233.02828 151.4
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