CID 425251

(diphenylimino-lambda6-sulfanyl)one

Structural Information

Molecular Formula
C12H11NOS
SMILES
C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NOS/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
KNPJTNDEHOFWKA-UHFFFAOYSA-N
Compound name
imino-oxo-diphenyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

217.05614 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 144.7
[M+Na]+ 240.04536 152.7
[M-H]- 216.04886 151.7
[M+NH4]+ 235.08996 163.1
[M+K]+ 256.01930 147.8
[M+H-H2O]+ 200.05340 138.0
[M+HCOO]- 262.05434 164.7
[M+CH3COO]- 276.06999 185.5
[M+Na-2H]- 238.03081 151.8
[M]+ 217.05559 144.1
[M]- 217.05669 144.1
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