CID 62084910

1-(4-nitrophenyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO4S/c1-6(15(9,13)14)7-2-4-8(5-3-7)10(11)12/h2-6H,1H3
InChIKey
ANZJUDSWKZKIHA-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.98625 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.993526 146.5
[M+Na]+ 271.975468 154.4
[M-H]- 247.978974 150.7
[M+NH4]+ 267.020073 164.0
[M+K]+ 287.949408 147.0
[M+H-H2O]+ 231.983510 146.7
[M+HCOO]- 293.984451 160.9
[M+CH3COO]- 308.000101 181.5
[M+Na-2H]- 269.960916 152.1
[M]+ 248.98570142 149.1
[M]- 248.98679858 149.1
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.