CID 289785

30240-01-8

Structural Information

Molecular Formula
C8H7BrN2O4
SMILES
C1=CC(=C(C=C1C(=O)NO)Br)C(=O)NO
InChI
InChI=1S/C8H7BrN2O4/c9-6-3-4(7(12)10-14)1-2-5(6)8(13)11-15/h1-3,14-15H,(H,10,12)(H,11,13)
InChIKey
OBFBSBJNYNXHMG-UHFFFAOYSA-N
Compound name
2-bromo-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.95892 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96620 147.1
[M+Na]+ 296.94814 156.3
[M-H]- 272.95164 150.8
[M+NH4]+ 291.99274 164.5
[M+K]+ 312.92208 145.1
[M+H-H2O]+ 256.95618 145.3
[M+HCOO]- 318.95712 167.2
[M+CH3COO]- 332.97277 192.8
[M+Na-2H]- 294.93359 152.2
[M]+ 273.95837 163.1
[M]- 273.95947 163.1
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.