CID 67396001

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

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CC2=C(C=CC=C2Cl)NC(=O)C1
InChI
InChI=1S/C10H10ClNO/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
CBEHRHQVRQXLOM-UHFFFAOYSA-N
Compound name
6-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

195.04509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 135.2
[M+Na]+ 218.03431 147.2
[M+NH4]+ 213.07891 143.8
[M+K]+ 234.00825 141.5
[M-H]- 194.03781 137.0
[M+Na-2H]- 216.01976 141.5
[M]+ 195.04454 137.7
[M]- 195.04564 137.7
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