CID 130976620

3-phenylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1C(CC1S(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
NBTUKYYILZUSHI-UHFFFAOYSA-N
Compound name
3-phenylcyclobutane-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]+ 231.024106 136.4
[M+Na]+ 253.006048 144.0
[M-H]- 229.009554 143.1
[M+NH4]+ 248.050653 149.4
[M+K]+ 268.979988 142.6
[M+H-H2O]+ 213.014090 126.1
[M+HCOO]- 275.015031 148.7
[M+CH3COO]- 289.030681 187.3
[M+Na-2H]- 250.991496 140.6
[M]+ 230.01628142 147.8
[M]- 230.01737858 147.8
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.