CID 75711

Gafgvixgaapsto-uhfffaoysa-n

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.077896 164.7
[M+Na]+ 322.059838 171.7
[M-H]- 298.063344 168.9
[M+NH4]+ 317.104443 175.9
[M+K]+ 338.033778 167.5
[M+H-H2O]+ 282.067880 159.6
[M+HCOO]- 344.068821 182.8
[M+CH3COO]- 358.084471 196.6
[M+Na-2H]- 320.045286 171.6
[M]+ 299.07007142 157.9
[M]- 299.07116858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.