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]+ 231.02411 152.4
[M+Na]+ 253.00605 166.8
[M+NH4]+ 248.05065 163.4
[M+K]+ 268.97999 157.6
[M-H]- 229.00955 162.0
[M+Na-2H]- 250.99150 163.6
[M]+ 230.01628 159.3
[M]- 230.01738 159.3
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.