CID 62084910

Akos011364055

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]+ 249.99353 146.5
[M+Na]+ 271.97547 154.4
[M-H]- 247.97897 150.7
[M+NH4]+ 267.02007 164.0
[M+K]+ 287.94941 147.0
[M+H-H2O]+ 231.98351 146.7
[M+HCOO]- 293.98445 160.9
[M+CH3COO]- 308.00010 181.5
[M+Na-2H]- 269.96092 152.1
[M]+ 248.98570 149.1
[M]- 248.98680 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.