CID 136575659

1-(difluoromethyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H4F2N2O2
SMILES
C1=C(N=CN1C(F)F)C(=O)O
InChI
InChI=1S/C5H4F2N2O2/c6-5(7)9-1-3(4(10)11)8-2-9/h1-2,5H,(H,10,11)
InChIKey
WHISGEJHNNSDQN-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.02408 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03136 131.6
[M+Na]+ 185.01330 139.8
[M+NH4]+ 180.05790 136.5
[M+K]+ 200.98724 138.5
[M-H]- 161.01680 127.1
[M+Na-2H]- 182.99875 134.1
[M]+ 162.02353 130.8
[M]- 162.02463 130.8
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.