CID 12797628

3509-85-1

Structural Information

Molecular Formula
C13H9Cl3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)(Cl)Cl
InChI
InChI=1S/C13H9Cl3/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H
InChIKey
PHRLCYSMTGTXMM-UHFFFAOYSA-N
Compound name
1-chloro-2-[dichloro(phenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

269.977 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98428 155.1
[M+Na]+ 292.96622 164.6
[M-H]- 268.96972 159.7
[M+NH4]+ 288.01082 172.6
[M+K]+ 308.94016 157.3
[M+H-H2O]+ 252.97426 150.1
[M+HCOO]- 314.97520 162.8
[M+CH3COO]- 328.99085 166.8
[M+Na-2H]- 290.95167 160.8
[M]+ 269.97645 157.3
[M]- 269.97755 157.3
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