CID 145874393

2375270-92-9

Structural Information

Molecular Formula
C6H3F6N3O3
SMILES
C1=C(C=NN1C(C(OC(F)(F)F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F6N3O3/c7-4(18-6(10,11)12)5(8,9)14-2-3(1-13-14)15(16)17/h1-2,4H
InChIKey
HREBSBZEYDULOZ-UHFFFAOYSA-N
Compound name
4-nitro-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00787 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01515 143.1
[M+Na]+ 301.99709 152.0
[M-H]- 278.00059 137.5
[M+NH4]+ 297.04169 157.2
[M+K]+ 317.97103 146.6
[M+H-H2O]+ 262.00513 136.7
[M+HCOO]- 324.00607 157.8
[M+CH3COO]- 338.02172 189.8
[M+Na-2H]- 299.98254 150.0
[M]+ 279.00732 135.0
[M]- 279.00842 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.