CID 83807310

1-(2,6-difluorophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C9H7F2N3
SMILES
C1=CC(=C(C(=C1)F)N2C=C(C=N2)N)F
InChI
InChI=1S/C9H7F2N3/c10-7-2-1-3-8(11)9(7)14-5-6(12)4-13-14/h1-5H,12H2
InChIKey
JKVMDTYXFGYYHD-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.0608 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06808 136.1
[M+Na]+ 218.05002 147.0
[M-H]- 194.05352 138.2
[M+NH4]+ 213.09462 154.5
[M+K]+ 234.02396 142.8
[M+H-H2O]+ 178.05806 126.7
[M+HCOO]- 240.05900 158.7
[M+CH3COO]- 254.07465 149.5
[M+Na-2H]- 216.03547 140.5
[M]+ 195.06025 132.7
[M]- 195.06135 132.7
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

patents stripe