CID 4275903

23429-44-9

Structural Information

Molecular Formula
C20H17Cl
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
InChI
InChI=1S/C20H17Cl/c1-16-12-14-19(15-13-16)20(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
VUTZFAOGDXUYEJ-UHFFFAOYSA-N
Compound name
1-[chloro(diphenyl)methyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

292.10187 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10915 168.6
[M+Na]+ 315.09109 176.3
[M-H]- 291.09459 177.7
[M+NH4]+ 310.13569 184.3
[M+K]+ 331.06503 168.9
[M+H-H2O]+ 275.09913 160.5
[M+HCOO]- 337.10007 186.0
[M+CH3COO]- 351.11572 180.3
[M+Na-2H]- 313.07654 175.1
[M]+ 292.10132 169.3
[M]- 292.10242 169.3
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