CID 18963749

154195-54-7

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1CC2=C(C=CC(=C2)C(=O)CCl)NC(=O)C1
InChI
InChI=1S/C12H12ClNO2/c13-7-11(15)9-4-5-10-8(6-9)2-1-3-12(16)14-10/h4-6H,1-3,7H2,(H,14,16)
InChIKey
MAJXTRQJGGDABT-UHFFFAOYSA-N
Compound name
7-(2-chloroacetyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

237.05565 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 145.7
[M+Na]+ 260.04487 156.5
[M+NH4]+ 255.08947 153.0
[M+K]+ 276.01881 151.6
[M-H]- 236.04837 146.5
[M+Na-2H]- 258.03032 150.6
[M]+ 237.05510 147.6
[M]- 237.05620 147.6
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