CID 522258

Chloro(4-methoxyphenyl)phenylmethane

Structural Information

Molecular Formula
C14H13ClO
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C14H13ClO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKey
FKRXYCHXGNKYPV-UHFFFAOYSA-N
Compound name
1-[chloro(phenyl)methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

232.06549 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07277 149.3
[M+Na]+ 255.05471 157.4
[M-H]- 231.05821 155.8
[M+NH4]+ 250.09931 167.9
[M+K]+ 271.02865 152.6
[M+H-H2O]+ 215.06275 142.9
[M+HCOO]- 277.06369 168.4
[M+CH3COO]- 291.07934 189.9
[M+Na-2H]- 253.04016 155.0
[M]+ 232.06494 151.8
[M]- 232.06604 151.8
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