CID 129318749

59242-93-2

Structural Information

Molecular Formula
C14H14ClN
SMILES
C=CCC(CC=C)(C#N)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H14ClN/c1-3-9-14(11-16,10-4-2)12-5-7-13(15)8-6-12/h3-8H,1-2,9-10H2
InChIKey
QFXBDLMJFKALMM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-prop-2-enylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08148 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 153.0
[M+Na]+ 254.07070 165.9
[M+NH4]+ 249.11530 158.0
[M+K]+ 270.04464 154.6
[M-H]- 230.07420 147.7
[M+Na-2H]- 252.05615 157.1
[M]+ 231.08093 152.9
[M]- 231.08203 152.9
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.