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

29
Patents

260.0604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06768 156.7
[M+Na]+ 283.04962 164.2
[M-H]- 259.05312 163.2
[M+NH4]+ 278.09422 173.9
[M+K]+ 299.02356 159.6
[M+H-H2O]+ 243.05766 150.3
[M+HCOO]- 305.05860 174.3
[M+CH3COO]- 319.07425 192.5
[M+Na-2H]- 281.03507 163.3
[M]+ 260.05985 159.4
[M]- 260.06095 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