CID 52736

Ether, bis(4,4'-thiocyanatomethylphenyl)

Structural Information

Molecular Formula
C16H12N2OS2
SMILES
C1=CC(=CC=C1CSC#N)OC2=CC=C(C=C2)CSC#N
InChI
InChI=1S/C16H12N2OS2/c17-11-20-9-13-1-5-15(6-2-13)19-16-7-3-14(4-8-16)10-21-12-18/h1-8H,9-10H2
InChIKey
AKGAFSKMKQKTTQ-UHFFFAOYSA-N
Compound name
[4-[4-(thiocyanatomethyl)phenoxy]phenyl]methyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0391 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04638 172.8
[M+Na]+ 335.02832 182.3
[M+NH4]+ 330.07292 174.5
[M+K]+ 351.00226 169.0
[M-H]- 311.03182 165.4
[M+Na-2H]- 333.01377 174.2
[M]+ 312.03855 171.6
[M]- 312.03965 171.6
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

No patent data available for this compound.