CID 28805276

4-(3,4-difluorophenyl)-1,2-dihydrophthalazin-1-one

Structural Information

Molecular Formula
C14H8F2N2O
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C14H8F2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7H,(H,18,19)
InChIKey
OIJGLXYAVFQOGC-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.06046 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06774 154.3
[M+Na]+ 281.04968 166.1
[M-H]- 257.05318 156.2
[M+NH4]+ 276.09428 169.0
[M+K]+ 297.02362 158.9
[M+H-H2O]+ 241.05772 143.8
[M+HCOO]- 303.05866 172.4
[M+CH3COO]- 317.07431 166.0
[M+Na-2H]- 279.03513 160.9
[M]+ 258.05991 151.4
[M]- 258.06101 151.4
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