CID 64177910

4-[4-(trifluoromethyl)-1h-pyrazol-1-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CNCCC1N2C=C(C=N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-15(6-7)8-1-3-13-4-2-8/h5-6,8,13H,1-4H2
InChIKey
XYNLXIDCXIBCMW-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

219.09833 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.105606 146.2
[M+Na]+ 242.087548 152.9
[M-H]- 218.091054 143.0
[M+NH4]+ 237.132153 161.3
[M+K]+ 258.061488 148.9
[M+H-H2O]+ 202.095590 135.3
[M+HCOO]- 264.096531 158.3
[M+CH3COO]- 278.112181 182.6
[M+Na-2H]- 240.072996 148.8
[M]+ 219.09778142 136.1
[M]- 219.09887858 136.1
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