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]+ 291.03380 164.1
[M+Na]+ 313.01574 176.6
[M-H]- 289.01924 167.8
[M+NH4]+ 308.06034 179.4
[M+K]+ 328.98968 166.6
[M+H-H2O]+ 273.02378 152.5
[M+HCOO]- 335.02472 173.7
[M+CH3COO]- 349.04037 174.5
[M+Na-2H]- 311.00119 167.3
[M]+ 290.02597 162.8
[M]- 290.02707 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.