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

41
Patents

305.8891 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.896376 143.7
[M+Na]+ 328.878318 153.8
[M-H]- 304.881824 150.4
[M+NH4]+ 323.922923 162.5
[M+K]+ 344.852258 139.3
[M+H-H2O]+ 288.886360 151.6
[M+HCOO]- 350.887301 159.1
[M+CH3COO]- 364.902951 203.9
[M+Na-2H]- 326.863766 149.5
[M]+ 305.88855142 178.3
[M]- 305.88964858 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