CID 66437455

[5-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl]methanol

Structural Information

Molecular Formula
C6H8F2N2O
SMILES
CN1C(=C(C=N1)CO)C(F)F
InChI
InChI=1S/C6H8F2N2O/c1-10-5(6(7)8)4(3-11)2-9-10/h2,6,11H,3H2,1H3
InChIKey
WGVDXJLOTROEMS-UHFFFAOYSA-N
Compound name
[5-(difluoromethyl)-1-methylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06047 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06775 128.8
[M+Na]+ 185.04969 138.6
[M-H]- 161.05319 126.4
[M+NH4]+ 180.09429 148.3
[M+K]+ 201.02363 136.7
[M+H-H2O]+ 145.05773 120.8
[M+HCOO]- 207.05867 148.0
[M+CH3COO]- 221.07432 175.7
[M+Na-2H]- 183.03514 131.9
[M]+ 162.05992 126.7
[M]- 162.06102 126.7
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.