CID 14574338

2-propylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CCCC1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO2S/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h3-4,6-7H,2,5H2,1H3
InChIKey
NAURBQKSUZFYQT-UHFFFAOYSA-N
Compound name
2-propylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

218.01683 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.024106 141.9
[M+Na]+ 241.006048 151.9
[M-H]- 217.009554 146.3
[M+NH4]+ 236.050653 162.2
[M+K]+ 256.979988 147.3
[M+H-H2O]+ 201.014090 137.6
[M+HCOO]- 263.015031 155.9
[M+CH3COO]- 277.030681 182.8
[M+Na-2H]- 238.991496 146.3
[M]+ 218.01628142 147.2
[M]- 218.01737858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe