CID 43517074

3-chloro-4-(phthalazin-1-yloxy)aniline

Structural Information

Molecular Formula
C14H10ClN3O
SMILES
C1=CC=C2C(=C1)C=NN=C2OC3=C(C=C(C=C3)N)Cl
InChI
InChI=1S/C14H10ClN3O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2
InChIKey
MVANZAASCRDJTJ-UHFFFAOYSA-N
Compound name
3-chloro-4-phthalazin-1-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05124 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05852 158.3
[M+Na]+ 294.04046 169.0
[M-H]- 270.04396 163.1
[M+NH4]+ 289.08506 173.3
[M+K]+ 310.01440 162.5
[M+H-H2O]+ 254.04850 149.5
[M+HCOO]- 316.04944 175.7
[M+CH3COO]- 330.06509 170.3
[M+Na-2H]- 292.02591 166.4
[M]+ 271.05069 160.2
[M]- 271.05179 160.2
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.