CID 7019433

3,5-bis(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H4F4N2
SMILES
C1=C(NN=C1C(F)F)C(F)F
InChI
InChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11)
InChIKey
YYPFZXBEOCAFDL-UHFFFAOYSA-N
Compound name
3,5-bis(difluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

168.03107 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03835 126.0
[M+Na]+ 191.02029 135.1
[M-H]- 167.02379 120.7
[M+NH4]+ 186.06489 144.7
[M+K]+ 206.99423 132.6
[M+H-H2O]+ 151.02833 116.1
[M+HCOO]- 213.02927 142.2
[M+CH3COO]- 227.04492 176.2
[M+Na-2H]- 189.00574 128.0
[M]+ 168.03052 118.7
[M]- 168.03162 118.7
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