CID 24257295

1-phenylpropane-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CC(CC1=CC=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO2S/c1-8(13(10,11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
MVNNQZOLPSWUGV-UHFFFAOYSA-N
Compound name
1-phenylpropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.01683 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02411 142.1
[M+Na]+ 241.00605 150.9
[M-H]- 217.00955 146.3
[M+NH4]+ 236.05065 162.0
[M+K]+ 256.97999 146.9
[M+H-H2O]+ 201.01409 137.7
[M+HCOO]- 263.01503 155.2
[M+CH3COO]- 277.03068 182.5
[M+Na-2H]- 238.99150 146.1
[M]+ 218.01628 146.5
[M]- 218.01738 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

No patent data available for this compound.