CID 117681

25961-11-9

Structural Information

Molecular Formula
C16H14ClNO
SMILES
CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
InChIKey
NMZOSOMVILZBJL-UHFFFAOYSA-N
Compound name
1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

271.0764 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08368 156.3
[M+Na]+ 294.06562 170.4
[M+NH4]+ 289.11022 165.5
[M+K]+ 310.03956 163.2
[M-H]- 270.06912 159.6
[M+Na-2H]- 292.05107 163.2
[M]+ 271.07585 159.8
[M]- 271.07695 159.8
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