CID 93255740

2-[(2r)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1h-imidazole dihydrochloride

Structural Information

Molecular Formula
C8H10F3N3
SMILES
C1C[C@H](NC1)C2=NC=C(N2)C(F)(F)F
InChI
InChI=1S/C8H10F3N3/c9-8(10,11)6-4-13-7(14-6)5-2-1-3-12-5/h4-5,12H,1-3H2,(H,13,14)/t5-/m0/s1
InChIKey
NCLSFKUXDOHTTK-YFKPBYRVSA-N
Compound name
2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.089966 140.7
[M+Na]+ 228.071908 148.2
[M-H]- 204.075414 137.0
[M+NH4]+ 223.116513 157.6
[M+K]+ 244.045848 144.2
[M+H-H2O]+ 188.079950 130.7
[M+HCOO]- 250.080891 154.0
[M+CH3COO]- 264.096541 177.2
[M+Na-2H]- 226.057356 142.0
[M]+ 205.08214142 130.8
[M]- 205.08323858 130.8
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