CID 3653998

Benzyl s-phenyl thiocarbonate

Structural Information

Molecular Formula
C14H12O2S
SMILES
C1=CC=C(C=C1)COC(=O)SC2=CC=CC=C2
InChI
InChI=1S/C14H12O2S/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
UCMLLXFEXWHYJV-UHFFFAOYSA-N
Compound name
benzyl phenylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.0558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06308 153.4
[M+Na]+ 267.04502 160.5
[M-H]- 243.04852 160.1
[M+NH4]+ 262.08962 171.1
[M+K]+ 283.01896 156.6
[M+H-H2O]+ 227.05306 146.2
[M+HCOO]- 289.05400 172.5
[M+CH3COO]- 303.06965 188.6
[M+Na-2H]- 265.03047 157.3
[M]+ 244.05525 156.1
[M]- 244.05635 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

literature stripe

Patent stripe

patents stripe