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]+ 231.02411 136.4
[M+Na]+ 253.00605 144.0
[M-H]- 229.00955 143.1
[M+NH4]+ 248.05065 149.4
[M+K]+ 268.97999 142.6
[M+H-H2O]+ 213.01409 126.1
[M+HCOO]- 275.01503 148.7
[M+CH3COO]- 289.03068 187.3
[M+Na-2H]- 250.99150 140.6
[M]+ 230.01628 147.8
[M]- 230.01738 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.