CID 3066108

4-(ethoxymethyl)-2'-chlorobiphenyl

Structural Information

Molecular Formula
C15H15ClO
SMILES
CCOCC1=CC=C(C=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H15ClO/c1-2-17-11-12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h3-10H,2,11H2,1H3
InChIKey
BYEMSPWDLGUNKB-UHFFFAOYSA-N
Compound name
1-chloro-2-[4-(ethoxymethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.08115 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08843 153.7
[M+Na]+ 269.07037 162.6
[M-H]- 245.07387 160.4
[M+NH4]+ 264.11497 172.1
[M+K]+ 285.04431 157.2
[M+H-H2O]+ 229.07841 147.2
[M+HCOO]- 291.07935 173.4
[M+CH3COO]- 305.09500 193.1
[M+Na-2H]- 267.05582 159.3
[M]+ 246.08060 157.5
[M]- 246.08170 157.5
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