CID 137963781

(2-benzylcyclopropyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
C1C(C1CS(=O)(=O)Cl)CC2=CC=CC=C2
InChI
InChI=1S/C11H13ClO2S/c12-15(13,14)8-11-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
DXNZNSWZUYAPKD-UHFFFAOYSA-N
Compound name
(2-benzylcyclopropyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03249 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03977 154.5
[M+Na]+ 267.02171 168.8
[M+NH4]+ 262.06631 163.9
[M+K]+ 282.99565 161.2
[M-H]- 243.02521 163.9
[M+Na-2H]- 265.00716 163.7
[M]+ 244.03194 161.1
[M]- 244.03304 161.1
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.