CID 5070716

387361-57-1

Structural Information

Molecular Formula
C12H14ClNO2S
SMILES
C1CCC2C(C1)N2S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H14ClNO2S/c13-9-5-7-10(8-6-9)17(15,16)14-11-3-1-2-4-12(11)14/h5-8,11-12H,1-4H2
InChIKey
JYTXFOBJESQCQK-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04337 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05065 159.7
[M+Na]+ 294.03259 174.4
[M+NH4]+ 289.07719 169.4
[M+K]+ 310.00653 166.7
[M-H]- 270.03609 169.3
[M+Na-2H]- 292.01804 168.1
[M]+ 271.04282 166.4
[M]- 271.04392 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.