CID 20838

(2-chloro-2-phenylethyl)benzene

Structural Information

Molecular Formula
C14H13Cl
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)Cl
InChI
InChI=1S/C14H13Cl/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKey
UVROAJFELBNMRA-UHFFFAOYSA-N
Compound name
(1-chloro-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

216.07057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07785 146.4
[M+Na]+ 239.05979 153.6
[M-H]- 215.06329 152.5
[M+NH4]+ 234.10439 165.3
[M+K]+ 255.03373 148.2
[M+H-H2O]+ 199.06783 140.0
[M+HCOO]- 261.06877 165.2
[M+CH3COO]- 275.08442 159.2
[M+Na-2H]- 237.04524 152.8
[M]+ 216.07002 147.0
[M]- 216.07112 147.0
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