CID 5791161

7496-19-7

Structural Information

Molecular Formula
C17H14Cl2N2
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C17H14Cl2N2/c1-21(2)14-8-6-12(7-9-14)10-13(11-20)17-15(18)4-3-5-16(17)19/h3-10H,1-2H3/b13-10+
InChIKey
JXBOVEHPRDQCCG-JLHYYAGUSA-N
Compound name
(Z)-2-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.0534 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06068 176.6
[M+Na]+ 339.04262 188.0
[M-H]- 315.04612 182.5
[M+NH4]+ 334.08722 191.3
[M+K]+ 355.01656 179.3
[M+H-H2O]+ 299.05066 164.1
[M+HCOO]- 361.05160 188.2
[M+CH3COO]- 375.06725 220.1
[M+Na-2H]- 337.02807 177.3
[M]+ 316.05285 175.1
[M]- 316.05395 175.1
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

patents stripe