CID 207141

Brn 0554006

Structural Information

Molecular Formula
C11H11BrN2O4
SMILES
C1C(OC(=O)N1C2=CC(=CC=C2)Br)COC(=O)N
InChI
InChI=1S/C11H11BrN2O4/c12-7-2-1-3-8(4-7)14-5-9(18-11(14)16)6-17-10(13)15/h1-4,9H,5-6H2,(H2,13,15)
InChIKey
FVVVUXAHKBQVMI-UHFFFAOYSA-N
Compound name
[3-(3-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.99023 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.99751 161.4
[M+Na]+ 336.97945 171.7
[M-H]- 312.98295 169.5
[M+NH4]+ 332.02405 178.1
[M+K]+ 352.95339 162.2
[M+H-H2O]+ 296.98749 159.7
[M+HCOO]- 358.98843 180.5
[M+CH3COO]- 373.00408 200.3
[M+Na-2H]- 334.96490 164.4
[M]+ 313.98968 180.0
[M]- 313.99078 180.0
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

No patent data available for this compound.