CID 3078721

122277-23-0

Structural Information

Molecular Formula
C14H10BrNO4
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OC(=O)N
InChI
InChI=1S/C14H10BrNO4/c15-9-6-7-12(20-14(16)18)11(8-9)13(17)19-10-4-2-1-3-5-10/h1-8H,(H2,16,18)
InChIKey
QMOXBJDDWVEGSW-UHFFFAOYSA-N
Compound name
phenyl 5-bromo-2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.9793 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98658 165.2
[M+Na]+ 357.96852 174.8
[M-H]- 333.97202 173.9
[M+NH4]+ 353.01312 181.6
[M+K]+ 373.94246 164.3
[M+H-H2O]+ 317.97656 163.1
[M+HCOO]- 379.97750 186.3
[M+CH3COO]- 393.99315 204.7
[M+Na-2H]- 355.95397 169.5
[M]+ 334.97875 184.5
[M]- 334.97985 184.5
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.