CID 13696473

4-(prop-2-enamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
C=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h2-6H,1H2,(H,11,12)
InChIKey
ICFKYOOJPLLRJE-UHFFFAOYSA-N
Compound name
4-(prop-2-enoylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.99135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.998626 147.9
[M+Na]+ 267.980568 157.1
[M-H]- 243.984074 152.2
[M+NH4]+ 263.025173 166.4
[M+K]+ 283.954508 152.1
[M+H-H2O]+ 227.988610 143.3
[M+HCOO]- 289.989551 162.5
[M+CH3COO]- 304.005201 188.1
[M+Na-2H]- 265.966016 151.9
[M]+ 244.99080142 151.8
[M]- 244.99189858 151.8
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.