CID 23424511

3-isothiocyanato-1,1'-biphenyl

Structural Information

Molecular Formula
C13H9NS
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N=C=S
InChI
InChI=1S/C13H9NS/c15-10-14-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H
InChIKey
YASUKDIZQBZXRW-UHFFFAOYSA-N
Compound name
1-isothiocyanato-3-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.04558 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05286 144.6
[M+Na]+ 234.03480 160.1
[M+NH4]+ 229.07940 155.2
[M+K]+ 250.00874 148.6
[M-H]- 210.03830 151.4
[M+Na-2H]- 232.02025 155.8
[M]+ 211.04503 149.4
[M]- 211.04613 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe