CID 10798787

41870-52-4

Structural Information

Molecular Formula
C14H13Cl
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKey
VTZTUKIBJQCCMO-UHFFFAOYSA-N
Compound name
1-[chloro(phenyl)methyl]-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

216.07057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.077846 145.8
[M+Na]+ 239.059788 154.0
[M-H]- 215.063294 152.3
[M+NH4]+ 234.104393 165.1
[M+K]+ 255.033728 148.7
[M+H-H2O]+ 199.067830 139.7
[M+HCOO]- 261.068771 164.7
[M+CH3COO]- 275.084421 159.1
[M+Na-2H]- 237.045236 151.6
[M]+ 216.07002142 146.9
[M]- 216.07111858 146.9
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