CID 86717610

1428451-07-3

Structural Information

Molecular Formula
C12H11BrO7
SMILES
COC(=O)OC1=CC(=C(C=C1)C(=O)CBr)OC(=O)OC
InChI
InChI=1S/C12H11BrO7/c1-17-11(15)19-7-3-4-8(9(14)6-13)10(5-7)20-12(16)18-2/h3-5H,6H2,1-2H3
InChIKey
FRZITBSDHBZGHN-UHFFFAOYSA-N
Compound name
[2-(2-bromoacetyl)-5-methoxycarbonyloxyphenyl] methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

345.9688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.97608 161.3
[M+Na]+ 368.95802 171.6
[M-H]- 344.96152 167.6
[M+NH4]+ 364.00262 178.2
[M+K]+ 384.93196 163.5
[M+H-H2O]+ 328.96606 160.0
[M+HCOO]- 390.96700 181.3
[M+CH3COO]- 404.98265 203.6
[M+Na-2H]- 366.94347 164.5
[M]+ 345.96825 186.7
[M]- 345.96935 186.7
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