CID 202507

10473-74-2

Structural Information

Molecular Formula
C16H12BrNO2
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)OC(=O)N
InChI
InChI=1S/C16H12BrNO2/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
JBRPLHGXXKJGFE-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)-1-phenylprop-2-ynyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.00513 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01241 167.4
[M+Na]+ 351.99435 171.2
[M+NH4]+ 347.03895 168.6
[M+K]+ 367.96829 167.7
[M-H]- 327.99785 162.4
[M+Na-2H]- 349.97980 169.5
[M]+ 329.00458 164.8
[M]- 329.00568 164.8
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.