CID 373780

43012-19-7

Structural Information

Molecular Formula
C14H14S2
SMILES
C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS
InChI
InChI=1S/C14H14S2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChIKey
XFHIDPOTWOFDEM-UHFFFAOYSA-N
Compound name
[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

235
Patents

246.0537 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06098 150.0
[M+Na]+ 269.04292 165.4
[M+NH4]+ 264.08752 161.2
[M+K]+ 285.01686 152.5
[M-H]- 245.04642 156.6
[M+Na-2H]- 267.02837 159.6
[M]+ 246.05315 155.4
[M]- 246.05425 155.4
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