CID 64201042

2-(4-nitrophenoxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClNO5S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCS(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO5S/c9-16(13,14)6-5-15-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChIKey
BMHHYKNEAPWIPU-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98117 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98845 149.2
[M+Na]+ 287.97039 161.5
[M+NH4]+ 283.01499 156.3
[M+K]+ 303.94433 157.3
[M-H]- 263.97389 150.5
[M+Na-2H]- 285.95584 154.4
[M]+ 264.98062 151.9
[M]- 264.98172 151.9
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.