CID 75175993

1402242-79-8

Structural Information

Molecular Formula
C8H13BF3N2
SMILES
[B-](C1=CC(=NN1C)C(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H13BF3N2/c1-8(2,3)6-5-7(9(10,11)12)14(4)13-6/h5H,1-4H3/q-1
InChIKey
PPDBYNTZDRMAOG-UHFFFAOYSA-N
Compound name
(5-tert-butyl-2-methylpyrazol-3-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11238 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11966 140.3
[M+Na]+ 228.10160 150.1
[M-H]- 204.10510 136.6
[M+NH4]+ 223.14620 158.6
[M+K]+ 244.07554 148.0
[M+H-H2O]+ 188.10964 134.5
[M+HCOO]- 250.11058 156.1
[M+CH3COO]- 264.12623 184.1
[M+Na-2H]- 226.08705 144.2
[M]+ 205.11183 135.4
[M]- 205.11293 135.4
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.