CID 5124031

Methyl 2-chloro-2,2-diphenylacetate

Structural Information

Molecular Formula
C15H13ClO2
SMILES
COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C15H13ClO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
ILVSUJHMWHCKOI-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

260.0604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.067676 156.7
[M+Na]+ 283.049618 164.2
[M-H]- 259.053124 163.2
[M+NH4]+ 278.094223 173.9
[M+K]+ 299.023558 159.6
[M+H-H2O]+ 243.057660 150.3
[M+HCOO]- 305.058601 174.3
[M+CH3COO]- 319.074251 192.5
[M+Na-2H]- 281.035066 163.3
[M]+ 260.05985142 159.4
[M]- 260.06094858 159.4
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