CID 13615328

107344-63-8

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
CN1C=CN=C1C(C(F)(F)F)O
InChI
InChI=1S/C6H7F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-4,12H,1H3
InChIKey
VCWWANSAFLSDNW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

180.05104 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 132.0
[M+Na]+ 203.04026 141.4
[M-H]- 179.04376 128.3
[M+NH4]+ 198.08486 150.6
[M+K]+ 219.01420 139.6
[M+H-H2O]+ 163.04830 123.5
[M+HCOO]- 225.04924 148.6
[M+CH3COO]- 239.06489 177.0
[M+Na-2H]- 201.02571 136.0
[M]+ 180.05049 127.7
[M]- 180.05159 127.7
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