CID 20251486

5-amino-1-(2,4-difluorophenyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H6F2N4
SMILES
C1=CC(=C(C=C1F)F)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C10H6F2N4/c11-7-1-2-9(8(12)3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChIKey
UHDLKGNUBWFTBK-UHFFFAOYSA-N
Compound name
5-amino-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.05605 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06333 141.6
[M+Na]+ 243.04527 153.7
[M-H]- 219.04877 142.1
[M+NH4]+ 238.08987 156.7
[M+K]+ 259.01921 148.6
[M+H-H2O]+ 203.05331 125.1
[M+HCOO]- 265.05425 159.8
[M+CH3COO]- 279.06990 152.6
[M+Na-2H]- 241.03072 144.2
[M]+ 220.05550 133.4
[M]- 220.05660 133.4
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

patents stripe