CID 167729034

N-[4-chloro-2-(hydroxymethyl)phenyl]ethene-1-sulfonamide

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
C=CS(=O)(=O)NC1=C(C=C(C=C1)Cl)CO
InChI
InChI=1S/C9H10ClNO3S/c1-2-15(13,14)11-9-4-3-8(10)5-7(9)6-12/h2-5,11-12H,1,6H2
InChIKey
OJGGSEFVMSHMKR-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(hydroxymethyl)phenyl]ethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00699 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 148.6
[M+Na]+ 269.99621 158.0
[M-H]- 245.99971 151.6
[M+NH4]+ 265.04081 166.6
[M+K]+ 285.97015 152.3
[M+H-H2O]+ 230.00425 144.3
[M+HCOO]- 292.00519 162.4
[M+CH3COO]- 306.02084 187.5
[M+Na-2H]- 267.98166 152.5
[M]+ 247.00644 152.3
[M]- 247.00754 152.3
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.