CID 2737035

150433-19-5

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=NN3
InChI
InChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15)
InChIKey
TVZLXTOULIAGKU-UHFFFAOYSA-N
Compound name
5-naphthalen-1-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

194.0844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 140.7
[M+Na]+ 217.07362 157.2
[M+NH4]+ 212.11822 150.6
[M+K]+ 233.04756 150.3
[M-H]- 193.07712 145.2
[M+Na-2H]- 215.05907 151.5
[M]+ 194.08385 144.5
[M]- 194.08495 144.5
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

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