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

19
Patents

235.00699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.014266 144.7
[M+Na]+ 257.996208 155.5
[M-H]- 233.999714 149.1
[M+NH4]+ 253.040813 164.0
[M+K]+ 273.970148 151.3
[M+H-H2O]+ 218.004250 140.5
[M+HCOO]- 280.005191 159.4
[M+CH3COO]- 294.020841 188.5
[M+Na-2H]- 255.981656 147.8
[M]+ 235.00644142 149.9
[M]- 235.00753858 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