CID 25301

1-(4-chlorophenyl)-1-phenyl-2-propynyl carbamate

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N
InChI
InChI=1S/C16H12ClNO2/c1-2-16(20-15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h1,3-11H,(H2,18,19)
InChIKey
SXHWIUYWGJFLKB-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-1-phenylprop-2-ynyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.05566 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 165.5
[M+Na]+ 308.04488 178.7
[M+NH4]+ 303.08948 169.9
[M+K]+ 324.01882 168.6
[M-H]- 284.04838 161.1
[M+Na-2H]- 306.03033 170.7
[M]+ 285.05511 165.7
[M]- 285.05621 165.7
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.