CID 58857219

3,7-dibromo-2,3,4,5-tetrahydro-1h-1-benzazepin-2-one

Structural Information

Molecular Formula
C10H9Br2NO
SMILES
C1CC2=C(C=CC(=C2)Br)NC(=O)C1Br
InChI
InChI=1S/C10H9Br2NO/c11-7-2-4-9-6(5-7)1-3-8(12)10(14)13-9/h2,4-5,8H,1,3H2,(H,13,14)
InChIKey
RUCQBVMURFKTHQ-UHFFFAOYSA-N
Compound name
3,7-dibromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.9051 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.91238 140.5
[M+Na]+ 339.89432 149.7
[M-H]- 315.89782 146.6
[M+NH4]+ 334.93892 157.5
[M+K]+ 355.86826 138.0
[M+H-H2O]+ 299.90236 149.0
[M+HCOO]- 361.90330 152.6
[M+CH3COO]- 375.91895 153.3
[M+Na-2H]- 337.87977 147.3
[M]+ 316.90455 168.0
[M]- 316.90565 168.0
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

patents stripe