CID 14614713

3-(difluoromethyl)-1-methyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
CN1C(=O)C=C(N1)C(F)F
InChI
InChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h2,5,8H,1H3
InChIKey
VEIPKLIIXBPVCG-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-2-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

148.04482 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.052096 123.3
[M+Na]+ 171.034038 133.8
[M-H]- 147.037544 121.1
[M+NH4]+ 166.078643 143.4
[M+K]+ 187.007978 131.6
[M+H-H2O]+ 131.042080 115.6
[M+HCOO]- 193.043021 143.1
[M+CH3COO]- 207.058671 171.9
[M+Na-2H]- 169.019486 126.9
[M]+ 148.04427142 120.1
[M]- 148.04536858 120.1
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