CID 138039605

2241128-17-4

Structural Information

Molecular Formula
C11H12Cl2O2S
SMILES
C1C(CC1C2=CC=C(C=C2)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C11H12Cl2O2S/c12-11-3-1-9(2-4-11)10-5-8(6-10)7-16(13,14)15/h1-4,8,10H,5-7H2
InChIKey
AQRXMHFIRZJTMA-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00078 144.2
[M+Na]+ 300.98272 152.5
[M-H]- 276.98622 150.3
[M+NH4]+ 296.02732 156.1
[M+K]+ 316.95666 149.6
[M+H-H2O]+ 260.99076 134.8
[M+HCOO]- 322.99170 151.4
[M+CH3COO]- 337.00735 195.7
[M+Na-2H]- 298.96817 146.8
[M]+ 277.99295 157.1
[M]- 277.99405 157.1
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.