CID 145874348

2375268-79-2

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]+ 236.01427 145.2
[M+Na]+ 257.99621 155.2
[M-H]- 233.99971 149.3
[M+NH4]+ 253.04081 164.2
[M+K]+ 273.97015 150.9
[M+H-H2O]+ 218.00425 140.7
[M+HCOO]- 280.00519 160.0
[M+CH3COO]- 294.02084 187.3
[M+Na-2H]- 255.98166 149.0
[M]+ 235.00644 150.1
[M]- 235.00754 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.