CID 75464945

1181378-09-5

Structural Information

Molecular Formula
C14H10FN3O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)N)F
InChI
InChI=1S/C14H10FN3O/c15-11-7-8(5-6-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7H,16H2,(H,18,19)
InChIKey
DJPQWGLASBUJTI-UHFFFAOYSA-N
Compound name
4-(4-amino-3-fluorophenyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

255.0808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08808 155.7
[M+Na]+ 278.07002 166.6
[M-H]- 254.07352 158.5
[M+NH4]+ 273.11462 170.0
[M+K]+ 294.04396 159.5
[M+H-H2O]+ 238.07806 146.1
[M+HCOO]- 300.07900 175.3
[M+CH3COO]- 314.09465 167.2
[M+Na-2H]- 276.05547 162.5
[M]+ 255.08025 152.4
[M]- 255.08135 152.4
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