CID 419209

2-(((2-mercaptophenyl)imino)methyl)phenol

Structural Information

Molecular Formula
C13H11NOS
SMILES
C1=CC=C(C(=C1)C=NC2=CC=CC=C2S)O
InChI
InChI=1S/C13H11NOS/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H
InChIKey
RCDKQPLQNRHCGH-UHFFFAOYSA-N
Compound name
2-[(2-sulfanylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

69
Patents

229.05614 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06342 147.9
[M+Na]+ 252.04536 156.7
[M-H]- 228.04886 155.3
[M+NH4]+ 247.08996 166.4
[M+K]+ 268.01930 151.8
[M+H-H2O]+ 212.05340 140.9
[M+HCOO]- 274.05434 168.9
[M+CH3COO]- 288.06999 190.4
[M+Na-2H]- 250.03081 152.5
[M]+ 229.05559 149.6
[M]- 229.05669 149.6
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