CID 22467213

199590-75-5

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
CC1=CC(=C(C=C1Cl)S(=O)(=O)N)OC
InChI
InChI=1S/C8H10ClNO3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
VQHIRMCXZNAVRG-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

235.00699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01427 144.7
[M+Na]+ 257.99621 155.5
[M-H]- 233.99971 149.1
[M+NH4]+ 253.04081 164.0
[M+K]+ 273.97015 151.3
[M+H-H2O]+ 218.00425 140.5
[M+HCOO]- 280.00519 159.4
[M+CH3COO]- 294.02084 188.5
[M+Na-2H]- 255.98166 147.8
[M]+ 235.00644 149.9
[M]- 235.00754 149.9
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