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]+ 232.088756 157.1
[M+Na]+ 254.070698 167.5
[M-H]- 230.074204 160.1
[M+NH4]+ 249.115303 174.3
[M+K]+ 270.044638 160.4
[M+H-H2O]+ 214.078740 145.7
[M+HCOO]- 276.079681 171.3
[M+CH3COO]- 290.095331 202.4
[M+Na-2H]- 252.056146 161.3
[M]+ 231.08093142 154.0
[M]- 231.08202858 154.0
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.