CID 75175989

1402242-82-3

Structural Information

Molecular Formula
C10H9BF3N2O
SMILES
[B-](C1=CC(=NN1)C2=CC=C(C=C2)OC)(F)(F)F
InChI
InChI=1S/C10H9BF3N2O/c1-17-8-4-2-7(3-5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)/q-1
InChIKey
IUFFZSJLVMWKHV-UHFFFAOYSA-N
Compound name
trifluoro-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08328 144.0
[M+Na]+ 264.06522 153.1
[M-H]- 240.06872 141.8
[M+NH4]+ 259.10982 159.4
[M+K]+ 280.03916 148.6
[M+H-H2O]+ 224.07326 136.4
[M+HCOO]- 286.07420 160.9
[M+CH3COO]- 300.08985 184.9
[M+Na-2H]- 262.05067 147.9
[M]+ 241.07545 137.7
[M]- 241.07655 137.7
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.