CID 6501613

879072-54-5

Structural Information

Molecular Formula
C13H12F3N3
SMILES
C1CNCC2=C1NN=C2C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H12F3N3/c14-13(15,16)9-3-1-8(2-4-9)12-10-7-17-6-5-11(10)18-19-12/h1-4,17H,5-7H2,(H,18,19)
InChIKey
PWKJCZGKAWNKDZ-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.09833 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10561 158.6
[M+Na]+ 290.08755 166.7
[M-H]- 266.09105 155.5
[M+NH4]+ 285.13215 172.3
[M+K]+ 306.06149 159.5
[M+H-H2O]+ 250.09559 147.7
[M+HCOO]- 312.09653 169.2
[M+CH3COO]- 326.11218 167.5
[M+Na-2H]- 288.07300 161.9
[M]+ 267.09778 148.9
[M]- 267.09888 148.9
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

patents stripe