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]+ 245.039766 144.8
[M+Na]+ 267.021708 155.0
[M-H]- 243.025214 152.4
[M+NH4]+ 262.066313 158.9
[M+K]+ 282.995648 149.9
[M+H-H2O]+ 227.029750 139.2
[M+HCOO]- 289.030691 158.9
[M+CH3COO]- 303.046341 190.4
[M+Na-2H]- 265.007156 149.0
[M]+ 244.03194142 151.6
[M]- 244.03303858 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.