CID 24693145

1137011-71-2

Structural Information

Molecular Formula
C9H7F2N3
SMILES
C1=CC(=C(C=C1C2=CC(=NN2)N)F)F
InChI
InChI=1S/C9H7F2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKey
RIWLAHOOAZLCSV-UHFFFAOYSA-N
Compound name
5-(3,4-difluorophenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.0608 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06808 136.5
[M+Na]+ 218.05002 147.0
[M-H]- 194.05352 137.3
[M+NH4]+ 213.09462 154.2
[M+K]+ 234.02396 141.8
[M+H-H2O]+ 178.05806 127.4
[M+HCOO]- 240.05900 157.6
[M+CH3COO]- 254.07465 149.2
[M+Na-2H]- 216.03547 140.4
[M]+ 195.06025 131.2
[M]- 195.06135 131.2
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