CID 165994638

3-(dimethylphosphoryl)-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H8F3N2OP
SMILES
CP(=O)(C)C1=NNC(=C1)C(F)(F)F
InChI
InChI=1S/C6H8F3N2OP/c1-13(2,12)5-3-4(10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKey
NUYKNNYKLHZTHC-UHFFFAOYSA-N
Compound name
3-dimethylphosphoryl-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03264 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03992 143.3
[M+Na]+ 235.02186 152.7
[M-H]- 211.02536 138.4
[M+NH4]+ 230.06646 161.1
[M+K]+ 250.99580 150.2
[M+H-H2O]+ 195.02990 132.8
[M+HCOO]- 257.03084 164.3
[M+CH3COO]- 271.04649 182.7
[M+Na-2H]- 233.00731 145.4
[M]+ 212.03209 139.4
[M]- 212.03319 139.4
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

No patent data available for this compound.