CID 3056931

4-phenoxybenzyl thiocyanate

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CSC#N
InChI
InChI=1S/C14H11NOS/c15-11-17-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
HZWXKVPCNDGWFA-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)methyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

241.05614 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 158.4
[M+Na]+ 264.04536 169.2
[M-H]- 240.04886 164.5
[M+NH4]+ 259.08996 174.7
[M+K]+ 280.01930 163.3
[M+H-H2O]+ 224.05340 145.1
[M+HCOO]- 286.05434 174.5
[M+CH3COO]- 300.06999 169.6
[M+Na-2H]- 262.03081 162.0
[M]+ 241.05559 156.1
[M]- 241.05669 156.1
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.