CID 2774944

82633-69-0

Structural Information

Molecular Formula
C7H4F7N3O2
SMILES
CC1=C(C(=NN1)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4F7N3O2/c1-2-3(17(18)19)4(16-15-2)5(8,9)6(10,11)7(12,13)14/h1H3,(H,15,16)
InChIKey
UOFISFKBSXJEHZ-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

295.01917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02645 147.3
[M+Na]+ 318.00839 157.1
[M-H]- 294.01189 139.6
[M+NH4]+ 313.05299 160.5
[M+K]+ 333.98233 149.7
[M+H-H2O]+ 278.01643 141.1
[M+HCOO]- 340.01737 158.4
[M+CH3COO]- 354.03302 191.9
[M+Na-2H]- 315.99384 154.5
[M]+ 295.01862 135.3
[M]- 295.01972 135.3
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