CID 853941

(2e)-2-(4-bromophenyl)-3-(2-methoxyphenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C16H12BrNO
SMILES
COC1=CC=CC=C1/C=C(/C#N)\C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H12BrNO/c1-19-16-5-3-2-4-13(16)10-14(11-18)12-6-8-15(17)9-7-12/h2-10H,1H3/b14-10-
InChIKey
LRMRFFDJGHFZOL-UVTDQMKNSA-N
Compound name
(E)-2-(4-bromophenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

313.01022 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.01750 162.3
[M+Na]+ 335.99944 167.8
[M+NH4]+ 331.04404 164.6
[M+K]+ 351.97338 162.7
[M-H]- 312.00294 158.7
[M+Na-2H]- 333.98489 165.6
[M]+ 313.00967 160.5
[M]- 313.01077 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.