CID 43650706

2137815-53-1

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CNCCC1C2=NC=C(N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-8(15-7)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15)
InChIKey
QNWIPNUWIWGOKW-UHFFFAOYSA-N
Compound name
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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 146.5
[M+Na]+ 242.087548 152.9
[M-H]- 218.091054 142.0
[M+NH4]+ 237.132153 160.9
[M+K]+ 258.061488 148.0
[M+H-H2O]+ 202.095590 136.0
[M+HCOO]- 264.096531 157.2
[M+CH3COO]- 278.112181 180.1
[M+Na-2H]- 240.072996 148.7
[M]+ 219.09778142 134.6
[M]- 219.09887858 134.6
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