CID 22031461

474708-70-8

Structural Information

Molecular Formula
C9H6F2N2
SMILES
C1=CC(=C(C=C1F)C2=CC=NN2)F
InChI
InChI=1S/C9H6F2N2/c10-6-1-2-8(11)7(5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKey
SBSIJHAAEYQRHD-UHFFFAOYSA-N
Compound name
5-(2,5-difluorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

180.04991 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05719 132.1
[M+Na]+ 203.03913 142.5
[M-H]- 179.04263 132.9
[M+NH4]+ 198.08373 150.7
[M+K]+ 219.01307 137.8
[M+H-H2O]+ 163.04717 123.0
[M+HCOO]- 225.04811 152.7
[M+CH3COO]- 239.06376 145.2
[M+Na-2H]- 201.02458 137.2
[M]+ 180.04936 128.0
[M]- 180.05046 128.0
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