CID 5097300

Methyl 2-bromo-2,2-diphenylacetate

Structural Information

Molecular Formula
C15H13BrO2
SMILES
COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Br
InChI
InChI=1S/C15H13BrO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
GMOPDUWWJUWBKC-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

304.0099 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01718 162.6
[M+Na]+ 326.99912 172.0
[M-H]- 303.00262 171.4
[M+NH4]+ 322.04372 180.8
[M+K]+ 342.97306 161.1
[M+H-H2O]+ 287.00716 161.9
[M+HCOO]- 349.00810 182.2
[M+CH3COO]- 363.02375 198.2
[M+Na-2H]- 324.98457 170.2
[M]+ 304.00935 181.6
[M]- 304.01045 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe