CID 83400

13391-39-4

Structural Information

Molecular Formula
C13H10Cl2
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H
InChIKey
FCSFSWLSKOMQFX-UHFFFAOYSA-N
Compound name
1-chloro-3-[chloro(phenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.01596 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.023236 147.3
[M+Na]+ 259.005178 156.3
[M-H]- 235.008684 153.1
[M+NH4]+ 254.049783 166.1
[M+K]+ 274.979118 149.8
[M+H-H2O]+ 219.013220 141.9
[M+HCOO]- 281.014161 161.3
[M+CH3COO]- 295.029811 160.1
[M+Na-2H]- 256.990626 152.8
[M]+ 236.01541142 149.3
[M]- 236.01650858 149.3
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.