CID 182151

5h-dibenz[b,f]azepine-5-carbonyl chloride

Structural Information

Molecular Formula
C15H10ClNO
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)Cl
InChI
InChI=1S/C15H10ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H
InChIKey
APJYHXJGXDPGBA-UHFFFAOYSA-N
Compound name
benzo[b][1]benzazepine-11-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

255.04509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05237 151.2
[M+Na]+ 278.03431 161.3
[M-H]- 254.03781 156.6
[M+NH4]+ 273.07891 169.2
[M+K]+ 294.00825 159.5
[M+H-H2O]+ 238.04235 145.7
[M+HCOO]- 300.04329 167.0
[M+CH3COO]- 314.05894 163.8
[M+Na-2H]- 276.01976 159.3
[M]+ 255.04454 151.2
[M]- 255.04564 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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