CID 125511771

Potassium trifluoro[3-methyl-4-(trifluoromethyl)-1h-pyrazol-5-yl]boranuide

Structural Information

Molecular Formula
C5H4BF6N2
SMILES
[B-](C1=C(C(=NN1)C)C(F)(F)F)(F)(F)F
InChI
InChI=1S/C5H4BF6N2/c1-2-3(5(7,8)9)4(14-13-2)6(10,11)12/h1H3,(H,13,14)/q-1
InChIKey
HWYHIFUBSVCXOK-UHFFFAOYSA-N
Compound name
trifluoro-[3-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04445 133.3
[M+Na]+ 240.02639 144.0
[M-H]- 216.02989 124.7
[M+NH4]+ 235.07099 150.0
[M+K]+ 256.00033 140.4
[M+H-H2O]+ 200.03443 125.4
[M+HCOO]- 262.03537 145.4
[M+CH3COO]- 276.05102 181.0
[M+Na-2H]- 238.01184 136.7
[M]+ 217.03662 121.7
[M]- 217.03772 121.7
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

No patent data available for this compound.