CID 5708836

78583-86-5

Structural Information

Molecular Formula
C9H5Cl2N
SMILES
C1=CC(=CC=C1/C(=C/C#N)/Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5H/b9-5-
InChIKey
HAOPARUBVPVOCT-UITAMQMPSA-N
Compound name
(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.9799 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.98718 140.4
[M+Na]+ 219.96912 152.4
[M-H]- 195.97262 143.3
[M+NH4]+ 215.01372 159.2
[M+K]+ 235.94306 145.5
[M+H-H2O]+ 179.97716 130.4
[M+HCOO]- 241.97810 152.0
[M+CH3COO]- 255.99375 193.8
[M+Na-2H]- 217.95457 145.0
[M]+ 196.97935 137.2
[M]- 196.98045 137.2
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.