CID 458379

2-chloro-3,5-xylenesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)N)Cl)C
InChI
InChI=1S/C8H10ClNO2S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
TUIFMCNOWVVXSJ-UHFFFAOYSA-N
Compound name
2-chloro-3,5-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.01208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.019356 141.6
[M+Na]+ 242.001298 152.7
[M-H]- 218.004804 146.1
[M+NH4]+ 237.045903 161.7
[M+K]+ 257.975238 147.9
[M+H-H2O]+ 202.009340 137.6
[M+HCOO]- 264.010281 156.1
[M+CH3COO]- 278.025931 186.4
[M+Na-2H]- 239.986746 144.6
[M]+ 219.01153142 145.4
[M]- 219.01262858 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

No patent data available for this compound.