CID 3806087

2,2-diphenylethanesulphonyl chloride

Structural Information

Molecular Formula
C14H13ClO2S
SMILES
C1=CC=C(C=C1)C(CS(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C14H13ClO2S/c15-18(16,17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
DYESDWUOAPVIIV-UHFFFAOYSA-N
Compound name
2,2-diphenylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

280.03247 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03975 159.2
[M+Na]+ 303.02169 167.4
[M-H]- 279.02519 166.1
[M+NH4]+ 298.06629 176.2
[M+K]+ 318.99563 161.7
[M+H-H2O]+ 263.02973 153.2
[M+HCOO]- 325.03067 172.3
[M+CH3COO]- 339.04632 193.2
[M+Na-2H]- 301.00714 163.4
[M]+ 280.03192 163.0
[M]- 280.03302 163.0
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

patents stripe