CID 99982808

1706436-51-2

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
C1=C(C=NN1C(F)(F)F)CO
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-2,11H,3H2
InChIKey
KHQNLZSFRHBBBS-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04268 127.4
[M+Na]+ 189.02462 137.4
[M-H]- 165.02812 123.6
[M+NH4]+ 184.06922 146.6
[M+K]+ 204.99856 135.4
[M+H-H2O]+ 149.03266 118.9
[M+HCOO]- 211.03360 145.3
[M+CH3COO]- 225.04925 173.2
[M+Na-2H]- 187.01007 133.0
[M]+ 166.03485 123.3
[M]- 166.03595 123.3
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.