CID 43246996

4-ethoxy-3-phenylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C14H13ClO3S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C14H13ClO3S/c1-2-18-14-9-8-12(19(15,16)17)10-13(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKey
LPARWRBLYOTAOF-UHFFFAOYSA-N
Compound name
4-ethoxy-3-phenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03468 162.2
[M+Na]+ 319.01662 172.2
[M-H]- 295.02012 169.7
[M+NH4]+ 314.06122 179.1
[M+K]+ 334.99056 166.7
[M+H-H2O]+ 279.02466 156.2
[M+HCOO]- 341.02560 176.4
[M+CH3COO]- 355.04125 196.7
[M+Na-2H]- 317.00207 166.3
[M]+ 296.02685 168.7
[M]- 296.02795 168.7
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.