CID 3066117

Acetoxy 4-methyl 2'-chlorobiphenyl

Structural Information

Molecular Formula
C15H13ClO2
SMILES
CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H13ClO2/c1-11(17)18-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9H,10H2,1H3
InChIKey
SIOKJCQSIHWEIS-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)phenyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.0604 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06768 155.8
[M+Na]+ 283.04962 164.8
[M-H]- 259.05312 162.7
[M+NH4]+ 278.09422 173.6
[M+K]+ 299.02356 159.8
[M+H-H2O]+ 243.05766 149.3
[M+HCOO]- 305.05860 175.0
[M+CH3COO]- 319.07425 194.4
[M+Na-2H]- 281.03507 160.3
[M]+ 260.05985 159.8
[M]- 260.06095 159.8
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

patents stripe