CID 75175991

1402242-84-5

Structural Information

Molecular Formula
C7H11BF3N2
SMILES
[B-](C1=CC(=NN1)C(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H11BF3N2/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h4H,1-3H3,(H,12,13)/q-1
InChIKey
BHBYHBRANXJDSK-UHFFFAOYSA-N
Compound name
(3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09674 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10402 136.3
[M+Na]+ 214.08596 145.1
[M-H]- 190.08946 130.9
[M+NH4]+ 209.13056 154.1
[M+K]+ 230.05990 142.4
[M+H-H2O]+ 174.09400 130.6
[M+HCOO]- 236.09494 150.9
[M+CH3COO]- 250.11059 177.1
[M+Na-2H]- 212.07141 140.8
[M]+ 191.09619 128.7
[M]- 191.09729 128.7
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.