CID 639688

(z)-thiobenzaldehyde s-oxide

Structural Information

Molecular Formula
C7H6OS
SMILES
C1=CC=C(C=C1)C=S=O
InChI
InChI=1S/C7H6OS/c8-9-6-7-4-2-1-3-5-7/h1-6H
InChIKey
GVIKGYDBKSJYAM-UHFFFAOYSA-N
Compound name
sulfinylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

12
Patents

138.01393 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02121 125.1
[M+Na]+ 161.00315 138.5
[M+NH4]+ 156.04775 134.9
[M+K]+ 176.97709 129.2
[M-H]- 137.00665 127.9
[M+Na-2H]- 158.98860 132.7
[M]+ 138.01338 128.3
[M]- 138.01448 128.3
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