CID 60800086

1-[(4-chlorophenyl)methoxy]-4-(3-chloroprop-1-yn-1-yl)benzene

Structural Information

Molecular Formula
C16H12Cl2O
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C#CCCl)Cl
InChI
InChI=1S/C16H12Cl2O/c17-11-1-2-13-5-9-16(10-6-13)19-12-14-3-7-15(18)8-4-14/h3-10H,11-12H2
InChIKey
FXRMEVJPDJBRSP-UHFFFAOYSA-N
Compound name
1-chloro-4-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.02652 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.033796 164.1
[M+Na]+ 313.015738 176.6
[M-H]- 289.019244 167.8
[M+NH4]+ 308.060343 179.4
[M+K]+ 328.989678 166.6
[M+H-H2O]+ 273.023780 152.5
[M+HCOO]- 335.024721 173.7
[M+CH3COO]- 349.040371 174.5
[M+Na-2H]- 311.001186 167.3
[M]+ 290.02597142 162.8
[M]- 290.02706858 162.8
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

No patent data available for this compound.