CID 14740128

2-(3-methoxyphenylthio)benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₂O₂S

SMILES

COC1=CC(=CC=C1)SC2=CC=CC=C2C=O

InChI

InChI=1S/C14H12O2S/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3

InChIKey

SOOXPJFTYXYFPE-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)sulfanylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 244.0558 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.06308	152.4
[M+Na]+	267.04502	167.8
[M+NH4]+	262.08962	162.1
[M+K]+	283.01896	157.3
[M-H]-	243.04852	157.7
[M+Na-2H]-	265.03047	162.0
[M]+	244.05525	156.8
[M]-	244.05635	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe