CID 126971299

1-benzylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1CC1(CC2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
LKLCFJUOUDPQAR-UHFFFAOYSA-N
Compound name
1-benzylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.024106 141.7
[M+Na]+ 253.006048 152.1
[M-H]- 229.009554 149.4
[M+NH4]+ 248.050653 157.9
[M+K]+ 268.979988 148.3
[M+H-H2O]+ 213.014090 137.2
[M+HCOO]- 275.015031 155.9
[M+CH3COO]- 289.030681 186.0
[M+Na-2H]- 250.991496 148.2
[M]+ 230.01628142 148.2
[M]- 230.01737858 148.2
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.