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

19
Patents

195.04509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.052366 135.3
[M+Na]+ 218.034308 143.4
[M-H]- 194.037814 138.1
[M+NH4]+ 213.078913 153.8
[M+K]+ 234.008248 142.6
[M+H-H2O]+ 178.042350 130.2
[M+HCOO]- 240.043291 149.5
[M+CH3COO]- 254.058941 147.6
[M+Na-2H]- 216.019756 141.8
[M]+ 195.04454142 130.7
[M]- 195.04563858 130.7
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