CID 114989444

(2,4-difluorophenyl)(1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C10H8F2N2O
SMILES
C1=CC(=C(C=C1F)F)C(C2=CNN=C2)O
InChI
InChI=1S/C10H8F2N2O/c11-7-1-2-8(9(12)3-7)10(15)6-4-13-14-5-6/h1-5,10,15H,(H,13,14)
InChIKey
FTDIAZWEELKPDG-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06775 140.7
[M+Na]+ 233.04969 149.8
[M-H]- 209.05319 140.1
[M+NH4]+ 228.09429 157.2
[M+K]+ 249.02363 145.0
[M+H-H2O]+ 193.05773 131.6
[M+HCOO]- 255.05867 158.7
[M+CH3COO]- 269.07432 180.7
[M+Na-2H]- 231.03514 143.6
[M]+ 210.05992 135.9
[M]- 210.06102 135.9
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.