CID 165939340

3-(difluoromethoxy)-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H6F2N2O2
SMILES
CN1C=C(C(=N1)OC(F)F)C=O
InChI
InChI=1S/C6H6F2N2O2/c1-10-2-4(3-11)5(9-10)12-6(7)8/h2-3,6H,1H3
InChIKey
AHRJZXFBUCJPCL-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.03973 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04701 136.2
[M+Na]+ 199.02895 145.4
[M+NH4]+ 194.07355 141.4
[M+K]+ 215.00289 143.0
[M-H]- 175.03245 132.4
[M+Na-2H]- 197.01440 139.1
[M]+ 176.03918 135.9
[M]- 176.04028 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.