CID 132398709

2169150-20-1

Structural Information

Molecular Formula
C6H3F3N2O3
SMILES
C(=O)C1=NC(=C(N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H3F3N2O3/c7-6(8,9)4-3(5(13)14)10-2(1-12)11-4/h1H,(H,10,11)(H,13,14)
InChIKey
AIJYHYACVFFZCR-UHFFFAOYSA-N
Compound name
2-formyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00958 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01686 135.6
[M+Na]+ 230.99880 145.8
[M-H]- 207.00230 130.9
[M+NH4]+ 226.04340 152.3
[M+K]+ 246.97274 142.8
[M+H-H2O]+ 191.00684 127.5
[M+HCOO]- 253.00778 151.5
[M+CH3COO]- 267.02343 178.0
[M+Na-2H]- 228.98425 138.6
[M]+ 208.00903 131.2
[M]- 208.01013 131.2
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

No patent data available for this compound.