CID 13714

13700-82-8

Structural Information

Molecular Formula
C14H10Cl2
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChIKey
FTIHFTVXYNBUSM-UHFFFAOYSA-N
Compound name
(1,2-dichloro-2-phenylethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

248.01596 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.023236 151.3
[M+Na]+ 271.005178 159.1
[M-H]- 247.008684 156.7
[M+NH4]+ 266.049783 169.3
[M+K]+ 286.979118 152.1
[M+H-H2O]+ 231.013220 145.7
[M+HCOO]- 293.014161 164.2
[M+CH3COO]- 307.029811 163.3
[M+Na-2H]- 268.990626 155.8
[M]+ 248.01541142 152.0
[M]- 248.01650858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe