CID 520217

Norflunitrazepam

Structural Information

Molecular Formula
C15H10FN3O3
SMILES
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C15H10FN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
InChIKey
KNGIGRDYBQPXKQ-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

107
Patents

299.07062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07790 164.7
[M+Na]+ 322.05984 171.7
[M-H]- 298.06334 168.9
[M+NH4]+ 317.10444 175.9
[M+K]+ 338.03378 167.5
[M+H-H2O]+ 282.06788 159.6
[M+HCOO]- 344.06882 182.8
[M+CH3COO]- 358.08447 196.6
[M+Na-2H]- 320.04529 171.6
[M]+ 299.07007 157.9
[M]- 299.07117 157.9
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

patents stripe