CID 13542026

2,2,2-trifluoro-1-(1h-imidazol-2-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
C1=CN=C(N1)C(C(F)(F)F)O
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)3(11)4-9-1-2-10-4/h1-3,11H,(H,9,10)
InChIKey
MKTAGPGPPNUHJX-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.0354 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.042676 128.2
[M+Na]+ 189.024618 136.6
[M-H]- 165.028124 122.8
[M+NH4]+ 184.069223 146.3
[M+K]+ 204.998558 134.1
[M+H-H2O]+ 149.032660 119.7
[M+HCOO]- 211.033601 143.6
[M+CH3COO]- 225.049251 170.3
[M+Na-2H]- 187.010066 132.9
[M]+ 166.03485142 121.2
[M]- 166.03594858 121.2
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