CID 111006

7515-73-3

Structural Information

Molecular Formula
C19H15Cl
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)Cl
InChI
InChI=1S/C19H15Cl/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H
InChIKey
HSVIAUJGCMPSQO-UHFFFAOYSA-N
Compound name
1-[chloro(phenyl)methyl]-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

278.08624 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09352 163.6
[M+Na]+ 301.07546 170.9
[M-H]- 277.07896 172.6
[M+NH4]+ 296.12006 179.6
[M+K]+ 317.04940 163.7
[M+H-H2O]+ 261.08350 155.4
[M+HCOO]- 323.08444 181.9
[M+CH3COO]- 337.10009 175.4
[M+Na-2H]- 299.06091 168.9
[M]+ 278.08569 163.8
[M]- 278.08679 163.8
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