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]+ 272.058516 158.9
[M+Na]+ 294.040458 170.6
[M-H]- 270.043964 164.5
[M+NH4]+ 289.085063 176.0
[M+K]+ 310.014398 164.0
[M+H-H2O]+ 254.048500 151.0
[M+HCOO]- 316.049441 177.8
[M+CH3COO]- 330.065091 171.7
[M+Na-2H]- 292.025906 163.9
[M]+ 271.05069142 161.8
[M]- 271.05178858 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.