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 144.8
[M+Na]+ 267.02171 155.0
[M-H]- 243.02521 152.4
[M+NH4]+ 262.06631 158.9
[M+K]+ 282.99565 149.9
[M+H-H2O]+ 227.02975 139.2
[M+HCOO]- 289.03069 158.9
[M+CH3COO]- 303.04634 190.4
[M+Na-2H]- 265.00716 149.0
[M]+ 244.03194 151.6
[M]- 244.03304 151.6
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.