CID 13133565

7-chloro-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CC2=C(C=CC(=C2)Cl)NC(=O)C1
InChI
InChI=1S/C10H10ClNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)
InChIKey
WXZRWXDXKODMJY-UHFFFAOYSA-N
Compound name
7-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 135.3
[M+Na]+ 218.03431 143.4
[M-H]- 194.03781 138.1
[M+NH4]+ 213.07891 153.8
[M+K]+ 234.00825 142.6
[M+H-H2O]+ 178.04235 130.2
[M+HCOO]- 240.04329 149.5
[M+CH3COO]- 254.05894 147.6
[M+Na-2H]- 216.01976 141.8
[M]+ 195.04454 130.7
[M]- 195.04564 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