CID 169302

1-(chloromethyl)-2-phenoxybenzene

Structural Information

Molecular Formula
C13H11ClO
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CCl
InChI
InChI=1S/C13H11ClO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKey
VIGILLBRWRDXDA-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

218.04984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05712 144.7
[M+Na]+ 241.03906 153.5
[M-H]- 217.04256 151.3
[M+NH4]+ 236.08366 163.9
[M+K]+ 257.01300 148.5
[M+H-H2O]+ 201.04710 138.4
[M+HCOO]- 263.04804 165.1
[M+CH3COO]- 277.06369 186.1
[M+Na-2H]- 239.02451 152.1
[M]+ 218.04929 147.4
[M]- 218.05039 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe