CID 212068

1h-indazol-5-amine, 1-(p-chlorobenzoyl)-

Structural Information

Molecular Formula
C14H10ClN3O
SMILES
C1=CC(=CC=C1C(=O)N2C3=C(C=C(C=C3)N)C=N2)Cl
InChI
InChI=1S/C14H10ClN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(16)7-10(13)8-17-18/h1-8H,16H2
InChIKey
WXPPAZGAWMWWCE-UHFFFAOYSA-N
Compound name
(5-aminoindazol-1-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.05124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05852 158.9
[M+Na]+ 294.04046 170.6
[M-H]- 270.04396 164.5
[M+NH4]+ 289.08506 176.0
[M+K]+ 310.01440 164.0
[M+H-H2O]+ 254.04850 151.0
[M+HCOO]- 316.04944 177.8
[M+CH3COO]- 330.06509 171.7
[M+Na-2H]- 292.02591 163.9
[M]+ 271.05069 161.8
[M]- 271.05179 161.8
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.