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 141.7
[M+Na]+ 253.00605 152.1
[M-H]- 229.00955 149.4
[M+NH4]+ 248.05065 157.9
[M+K]+ 268.97999 148.3
[M+H-H2O]+ 213.01409 137.2
[M+HCOO]- 275.01503 155.9
[M+CH3COO]- 289.03068 186.0
[M+Na-2H]- 250.99150 148.2
[M]+ 230.01628 148.2
[M]- 230.01738 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.