CID 2115239

1-chloro-4-(4-fluorophenyl)phthalazine

Structural Information

Molecular Formula
C14H8ClFN2
SMILES
C1=CC=C2C(=C1)C(=NN=C2Cl)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H8ClFN2/c15-14-12-4-2-1-3-11(12)13(17-18-14)9-5-7-10(16)8-6-9/h1-8H
InChIKey
LIFADULWFCVAQR-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-fluorophenyl)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

258.036 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04328 153.4
[M+Na]+ 281.02522 165.1
[M-H]- 257.02872 157.1
[M+NH4]+ 276.06982 169.5
[M+K]+ 296.99916 157.8
[M+H-H2O]+ 241.03326 143.8
[M+HCOO]- 303.03420 169.0
[M+CH3COO]- 317.04985 165.7
[M+Na-2H]- 279.01067 161.3
[M]+ 258.03545 154.4
[M]- 258.03655 154.4
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