CID 25212878

1013640-87-3

Structural Information

Molecular Formula
C3H3BF3N2
SMILES
[B-](C1=CC=NN1)(F)(F)F
InChI
InChI=1S/C3H3BF3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)/q-1
InChIKey
IJJZCNVACXLEEI-UHFFFAOYSA-N
Compound name
trifluoro(1H-pyrazol-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

135.03413 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04141 116.8
[M+Na]+ 158.02335 125.8
[M-H]- 134.02685 111.1
[M+NH4]+ 153.06795 136.2
[M+K]+ 173.99729 123.7
[M+H-H2O]+ 118.03139 110.7
[M+HCOO]- 180.03233 134.3
[M+CH3COO]- 194.04798 164.1
[M+Na-2H]- 156.00880 123.2
[M]+ 135.03358 108.1
[M]- 135.03468 108.1
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.