CID 3052037

68351-40-6

Structural Information

Molecular Formula
C16H15F2N
SMILES
C1CC(C2=C(C=C(C=C2)F)NC1)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H15F2N/c17-12-5-3-11(4-6-12)14-2-1-9-19-16-10-13(18)7-8-15(14)16/h3-8,10,14,19H,1-2,9H2
InChIKey
RUPZWPDUIMGBAS-UHFFFAOYSA-N
Compound name
8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.11725 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12453 153.1
[M+Na]+ 282.10647 159.7
[M-H]- 258.10997 156.5
[M+NH4]+ 277.15107 168.1
[M+K]+ 298.08041 157.6
[M+H-H2O]+ 242.11451 145.1
[M+HCOO]- 304.11545 168.7
[M+CH3COO]- 318.13110 163.5
[M+Na-2H]- 280.09192 157.4
[M]+ 259.11670 144.0
[M]- 259.11780 144.0
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

patents stripe