CID 4738557

1-phenyl-4,5,6,7-tetrahydro-1h-indazol-4-one

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1CC2=C(C=NN2C3=CC=CC=C3)C(=O)C1
InChI
InChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-14-15(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey
PSXCLWPFIRHOJO-UHFFFAOYSA-N
Compound name
1-phenyl-6,7-dihydro-5H-indazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

212.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.0
[M+Na]+ 235.08418 154.5
[M-H]- 211.08768 150.8
[M+NH4]+ 230.12878 164.6
[M+K]+ 251.05812 150.2
[M+H-H2O]+ 195.09222 137.5
[M+HCOO]- 257.09316 166.2
[M+CH3COO]- 271.10881 158.6
[M+Na-2H]- 233.06963 151.3
[M]+ 212.09441 143.8
[M]- 212.09551 143.8
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