CID 104631

1-(dichloromethyl)-3-phenoxybenzene

Structural Information

Molecular Formula
C13H10Cl2O
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(Cl)Cl
InChI
InChI=1S/C13H10Cl2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9,13H
InChIKey
JOVSDWRNVGOQNK-UHFFFAOYSA-N
Compound name
1-(dichloromethyl)-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

252.01086 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01814 150.4
[M+Na]+ 275.00008 159.3
[M-H]- 251.00358 156.3
[M+NH4]+ 270.04468 168.6
[M+K]+ 290.97402 153.4
[M+H-H2O]+ 235.00812 144.8
[M+HCOO]- 297.00906 164.6
[M+CH3COO]- 311.02471 191.4
[M+Na-2H]- 272.98553 155.9
[M]+ 252.01031 153.8
[M]- 252.01141 153.8
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