CID 75175987

1402242-81-2

Structural Information

Molecular Formula
C9H7BF3N2
SMILES
[B-](C1=CC(=NN1)C2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C9H7BF3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)/q-1
InChIKey
ILSNNCUYNGZXLM-UHFFFAOYSA-N
Compound name
trifluoro-(3-phenyl-1H-pyrazol-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.06544 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07272 135.7
[M+Na]+ 234.05466 144.5
[M-H]- 210.05816 133.3
[M+NH4]+ 229.09926 152.1
[M+K]+ 250.02860 139.7
[M+H-H2O]+ 194.06270 128.2
[M+HCOO]- 256.06364 152.8
[M+CH3COO]- 270.07929 178.8
[M+Na-2H]- 232.04011 140.8
[M]+ 211.06489 127.3
[M]- 211.06599 127.3
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.