CID 2735730

4-chloro-2,5-dimethylbenzenesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N
InChI
InChI=1S/C8H10ClNO2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
YSDCIOQWHXYICL-UHFFFAOYSA-N
Compound name
4-chloro-2,5-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.01208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01936 141.6
[M+Na]+ 242.00130 152.7
[M-H]- 218.00480 146.1
[M+NH4]+ 237.04590 161.7
[M+K]+ 257.97524 147.9
[M+H-H2O]+ 202.00934 137.6
[M+HCOO]- 264.01028 156.1
[M+CH3COO]- 278.02593 186.4
[M+Na-2H]- 239.98675 144.6
[M]+ 219.01153 145.4
[M]- 219.01263 145.4
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