CID 2769569

7-bromo-3,4-dihydro-1h-benzo[e][1,4]diazepine-2,5-dione

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)N1
InChI
InChI=1S/C9H7BrN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey
QTLHJODGGBYWLC-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

253.96909 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 140.5
[M+Na]+ 276.958308 150.9
[M-H]- 252.961814 143.9
[M+NH4]+ 272.002913 157.5
[M+K]+ 292.932248 143.0
[M+H-H2O]+ 236.966350 140.2
[M+HCOO]- 298.967291 154.9
[M+CH3COO]- 312.982941 153.4
[M+Na-2H]- 274.943756 147.7
[M]+ 253.96854142 151.6
[M]- 253.96963858 151.6
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