CID 120885

1-chloro-4-(phenylsulfinyl)benzene

Structural Information

Molecular Formula
C12H9ClOS
SMILES
C1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H
InChIKey
XRVFHWFVEIJJKX-UHFFFAOYSA-N
Compound name
1-(benzenesulfinyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

236.00627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01355 145.7
[M+Na]+ 258.99549 155.2
[M-H]- 234.99899 153.0
[M+NH4]+ 254.04009 164.8
[M+K]+ 274.96943 149.6
[M+H-H2O]+ 219.00353 140.1
[M+HCOO]- 281.00447 160.5
[M+CH3COO]- 295.02012 159.1
[M+Na-2H]- 256.98094 149.5
[M]+ 236.00572 149.0
[M]- 236.00682 149.0
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

patents stripe