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]+ 206.08997 140.7
[M+Na]+ 228.07191 148.2
[M-H]- 204.07541 137.0
[M+NH4]+ 223.11651 157.6
[M+K]+ 244.04585 144.2
[M+H-H2O]+ 188.07995 130.7
[M+HCOO]- 250.08089 154.0
[M+CH3COO]- 264.09654 177.2
[M+Na-2H]- 226.05736 142.0
[M]+ 205.08214 130.8
[M]- 205.08324 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