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]+ 234.035006 145.2
[M+Na]+ 256.016948 155.2
[M-H]- 232.020454 151.3
[M+NH4]+ 251.061553 165.4
[M+K]+ 271.990888 152.0
[M+H-H2O]+ 216.024990 140.6
[M+HCOO]- 278.025931 160.6
[M+CH3COO]- 292.041581 192.2
[M+Na-2H]- 254.002396 148.8
[M]+ 233.02718142 151.4
[M]- 233.02827858 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