CID 98511807

2022628-68-6

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@H]2S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO2S/c1-7-2-4-8(5-3-7)9-6-10(9)14(11,12)13/h2-5,9-10H,6H2,1H3/t9-,10+/m0/s1
InChIKey
TYDXXNLHVFTEML-VHSXEESVSA-N
Compound name
(1R,2S)-2-(4-methylphenyl)cyclopropane-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 140.0
[M+Na]+ 253.00605 151.4
[M-H]- 229.00955 148.1
[M+NH4]+ 248.05065 154.9
[M+K]+ 268.97999 146.4
[M+H-H2O]+ 213.01409 134.8
[M+HCOO]- 275.01503 154.3
[M+CH3COO]- 289.03068 188.6
[M+Na-2H]- 250.99150 144.0
[M]+ 230.01628 146.8
[M]- 230.01738 146.8
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.