CID 3530431

618383-25-8

Structural Information

Molecular Formula
C17H14F2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C17H14F2N2O2/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)16-7-4-13(18)8-15(16)19/h2-9,22H,10H2,1H3
InChIKey
QKIPZUJDERFAHZ-UHFFFAOYSA-N
Compound name
[1-(2,4-difluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10961 170.2
[M+Na]+ 339.09155 180.8
[M-H]- 315.09505 174.6
[M+NH4]+ 334.13615 183.4
[M+K]+ 355.06549 174.6
[M+H-H2O]+ 299.09959 159.2
[M+HCOO]- 361.10053 189.7
[M+CH3COO]- 375.11618 181.4
[M+Na-2H]- 337.07700 171.0
[M]+ 316.10178 170.4
[M]- 316.10288 170.4
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.