CID 145874348

2-(chloromethyl)-4-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N)CCl
InChI
InChI=1S/C8H10ClNO3S/c1-13-7-2-3-8(14(10,11)12)6(4-7)5-9/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey
OZSBBSKGAXXYEK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.00699 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.014266 145.2
[M+Na]+ 257.996208 155.2
[M-H]- 233.999714 149.3
[M+NH4]+ 253.040813 164.2
[M+K]+ 273.970148 150.9
[M+H-H2O]+ 218.004250 140.7
[M+HCOO]- 280.005191 160.0
[M+CH3COO]- 294.020841 187.3
[M+Na-2H]- 255.981656 149.0
[M]+ 235.00644142 150.1
[M]- 235.00753858 150.1
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.