CID 19385733

Methyl 2-bromo-2-(2-bromophenyl)acetate

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
COC(=O)C(C1=CC=CC=C1Br)Br
InChI
InChI=1S/C9H8Br2O2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,1H3
InChIKey
VZMMSUIICCIPQY-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(2-bromophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

305.8891 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89638 143.7
[M+Na]+ 328.87832 153.8
[M-H]- 304.88182 150.4
[M+NH4]+ 323.92292 162.5
[M+K]+ 344.85226 139.3
[M+H-H2O]+ 288.88636 151.6
[M+HCOO]- 350.88730 159.1
[M+CH3COO]- 364.90295 203.9
[M+Na-2H]- 326.86377 149.5
[M]+ 305.88855 178.3
[M]- 305.88965 178.3
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