CID 50896822

1245772-28-4

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
C1=C(N(N=C1)C(F)F)CO
InChI
InChI=1S/C5H6F2N2O/c6-5(7)9-4(3-10)1-2-8-9/h1-2,5,10H,3H2
InChIKey
LJFXBCOEVUZEHB-UHFFFAOYSA-N
Compound name
[2-(difluoromethyl)pyrazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04482 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.052096 124.4
[M+Na]+ 171.034038 133.7
[M-H]- 147.037544 121.8
[M+NH4]+ 166.078643 144.2
[M+K]+ 187.007978 132.1
[M+H-H2O]+ 131.042080 116.2
[M+HCOO]- 193.043021 144.0
[M+CH3COO]- 207.058671 171.5
[M+Na-2H]- 169.019486 128.8
[M]+ 148.04427142 121.6
[M]- 148.04536858 121.6
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.