CID 18546472

2-phenylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CC(CS(=O)(=O)Cl)C1=CC=CC=C1
InChI
InChI=1S/C9H11ClO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
URGJZUKWCQVXCR-UHFFFAOYSA-N
Compound name
2-phenylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.01683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.024106 142.1
[M+Na]+ 241.006048 150.9
[M-H]- 217.009554 146.3
[M+NH4]+ 236.050653 162.0
[M+K]+ 256.979988 146.9
[M+H-H2O]+ 201.014090 137.7
[M+HCOO]- 263.015031 155.2
[M+CH3COO]- 277.030681 182.5
[M+Na-2H]- 238.991496 146.1
[M]+ 218.01628142 146.5
[M]- 218.01737858 146.5
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