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

66
Patents

253.96909 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 140.5
[M+Na]+ 276.95831 150.9
[M-H]- 252.96181 143.9
[M+NH4]+ 272.00291 157.5
[M+K]+ 292.93225 143.0
[M+H-H2O]+ 236.96635 140.2
[M+HCOO]- 298.96729 154.9
[M+CH3COO]- 312.98294 153.4
[M+Na-2H]- 274.94376 147.7
[M]+ 253.96854 151.6
[M]- 253.96964 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