CID 20644643

6-bromo-2,3,4,5-tetrahydro-1h-1-benzazepin-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CC2=C(C=CC=C2Br)NC(=O)C1
InChI
InChI=1S/C10H10BrNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13)
InChIKey
VTTMGWBZSGXBTC-UHFFFAOYSA-N
Compound name
6-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.99458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.001856 139.8
[M+Na]+ 261.983798 149.2
[M-H]- 237.987304 145.3
[M+NH4]+ 257.028403 159.1
[M+K]+ 277.957738 141.8
[M+H-H2O]+ 221.991840 140.6
[M+HCOO]- 283.992781 156.1
[M+CH3COO]- 298.008431 153.3
[M+Na-2H]- 259.969246 147.4
[M]+ 238.99403142 151.3
[M]- 238.99512858 151.3
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