CID 45440

63918-66-1

Structural Information

Molecular Formula
C17H15Cl2N
SMILES
C=CCN1CC2=C(C=CC(=C2)Cl)C3=C(C1)C=C(C=C3)Cl
InChI
InChI=1S/C17H15Cl2N/c1-2-7-20-10-12-8-14(18)3-5-16(12)17-6-4-15(19)9-13(17)11-20/h2-6,8-9H,1,7,10-11H2
InChIKey
KMAVLDDABBYQQM-UHFFFAOYSA-N
Compound name
3,9-dichloro-6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.05817 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06545 164.7
[M+Na]+ 326.04739 176.0
[M-H]- 302.05089 168.8
[M+NH4]+ 321.09199 181.8
[M+K]+ 342.02133 171.8
[M+H-H2O]+ 286.05543 158.7
[M+HCOO]- 348.05637 174.4
[M+CH3COO]- 362.07202 176.0
[M+Na-2H]- 324.03284 169.6
[M]+ 303.05762 165.0
[M]- 303.05872 165.0
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

No patent data available for this compound.