CID 597196

(4-(trifluoromethyl)-1h-imidazol-5-yl)methanol

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
C1=NC(=C(N1)CO)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10)
InChIKey
LOQHFYRPMOANSF-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

166.0354 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04268 128.0
[M+Na]+ 189.02462 137.6
[M-H]- 165.02812 122.9
[M+NH4]+ 184.06922 146.5
[M+K]+ 204.99856 134.6
[M+H-H2O]+ 149.03266 119.8
[M+HCOO]- 211.03360 144.4
[M+CH3COO]- 225.04925 170.6
[M+Na-2H]- 187.01007 133.2
[M]+ 166.03485 122.1
[M]- 166.03595 122.1
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