CID 56605347

5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H5F5N2O
SMILES
CN1C(=CC(=N1)C(F)(F)F)OC(F)F
InChI
InChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3
InChIKey
DLWVOWQFNAIZHY-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

216.0322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03948 135.8
[M+Na]+ 239.02142 146.6
[M-H]- 215.02492 131.1
[M+NH4]+ 234.06602 153.7
[M+K]+ 254.99536 144.7
[M+H-H2O]+ 199.02946 125.4
[M+HCOO]- 261.03040 151.7
[M+CH3COO]- 275.04605 186.6
[M+Na-2H]- 237.00687 138.5
[M]+ 216.03165 131.2
[M]- 216.03275 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