CID 4120447

618091-88-6

Structural Information

Molecular Formula
C14H10FN3O2
SMILES
C1=CC=C(C(=C1)N2C(=C(C=N2)C(=O)C3=CC=CO3)N)F
InChI
InChI=1S/C14H10FN3O2/c15-10-4-1-2-5-11(10)18-14(16)9(8-17-18)13(19)12-6-3-7-20-12/h1-8H,16H2
InChIKey
JHHHUJTWMHBHPS-UHFFFAOYSA-N
Compound name
[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0757 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.082976 156.3
[M+Na]+ 294.064918 166.9
[M-H]- 270.068424 164.3
[M+NH4]+ 289.109523 171.6
[M+K]+ 310.038858 163.5
[M+H-H2O]+ 254.072960 147.2
[M+HCOO]- 316.073901 180.5
[M+CH3COO]- 330.089551 169.6
[M+Na-2H]- 292.050366 158.6
[M]+ 271.07515142 157.7
[M]- 271.07624858 157.7
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.