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 150.8
[M+Na]+ 287.97039 158.7
[M-H]- 263.97389 154.9
[M+NH4]+ 283.01499 167.6
[M+K]+ 303.94433 151.3
[M+H-H2O]+ 247.97843 150.6
[M+HCOO]- 309.97937 166.3
[M+CH3COO]- 323.99502 182.9
[M+Na-2H]- 285.95584 157.7
[M]+ 264.98062 155.3
[M]- 264.98172 155.3
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.