CID 5015955

618441-77-3

Structural Information

Molecular Formula
C18H14F2N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CO)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C18H14F2N2O3/c19-13-2-3-15(14(20)8-13)22-9-12(10-23)18(21-22)11-1-4-16-17(7-11)25-6-5-24-16/h1-4,7-9,23H,5-6,10H2
InChIKey
VESSPIXBVAZEFS-UHFFFAOYSA-N
Compound name
[1-(2,4-difluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09726 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10454 178.7
[M+Na]+ 367.08648 188.6
[M-H]- 343.08998 184.8
[M+NH4]+ 362.13108 188.7
[M+K]+ 383.06042 184.4
[M+H-H2O]+ 327.09452 167.6
[M+HCOO]- 389.09546 193.0
[M+CH3COO]- 403.11111 189.0
[M+Na-2H]- 365.07193 180.5
[M]+ 344.09671 177.9
[M]- 344.09781 177.9
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.