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]+ 248.014266 148.6
[M+Na]+ 269.996208 158.0
[M-H]- 245.999714 151.6
[M+NH4]+ 265.040813 166.6
[M+K]+ 285.970148 152.3
[M+H-H2O]+ 230.004250 144.3
[M+HCOO]- 292.005191 162.4
[M+CH3COO]- 306.020841 187.5
[M+Na-2H]- 267.981656 152.5
[M]+ 247.00644142 152.3
[M]- 247.00753858 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.