CID 138039633

2241142-13-0

Structural Information

Molecular Formula
C15H14ClFN2
SMILES
C1CNC2=C(C=C(C=C2)Cl)C(N1)C3=CC=CC=C3F
InChI
InChI=1S/C15H14ClFN2/c16-10-5-6-14-12(9-10)15(19-8-7-18-14)11-3-1-2-4-13(11)17/h1-6,9,15,18-19H,7-8H2
InChIKey
BYKPZQKCYSBZMW-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08295 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09023 158.0
[M+Na]+ 299.07217 166.1
[M-H]- 275.07567 159.6
[M+NH4]+ 294.11677 171.4
[M+K]+ 315.04611 162.3
[M+H-H2O]+ 259.08021 149.3
[M+HCOO]- 321.08115 167.9
[M+CH3COO]- 335.09680 167.6
[M+Na-2H]- 297.05762 162.5
[M]+ 276.08240 150.3
[M]- 276.08350 150.3
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.