CID 133643

81265-32-9

Structural Information

Molecular Formula
C6H5F3N2O2
SMILES
C1=CN(C=N1)C(=O)OCC(F)(F)F
InChI
InChI=1S/C6H5F3N2O2/c7-6(8,9)3-13-5(12)11-2-1-10-4-11/h1-2,4H,3H2
InChIKey
VHSLGTPKFRBITL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

194.03032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03760 133.9
[M+Na]+ 217.01954 143.2
[M-H]- 193.02304 131.3
[M+NH4]+ 212.06414 152.4
[M+K]+ 232.99348 142.2
[M+H-H2O]+ 177.02758 124.8
[M+HCOO]- 239.02852 152.5
[M+CH3COO]- 253.04417 178.3
[M+Na-2H]- 215.00499 139.1
[M]+ 194.02977 131.7
[M]- 194.03087 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe