CID 66521629

2225170-71-6

Structural Information

Molecular Formula
C10H8BF3N2O2
SMILES
B(C1=CN(N=C1)C2=CC=C(C=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C10H8BF3N2O2/c12-10(13,14)7-1-3-9(4-2-7)16-6-8(5-15-16)11(17)18/h1-6,17-18H
InChIKey
KYWBBNAEFNIHRD-UHFFFAOYSA-N
Compound name
[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

256.06308 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07036 155.6
[M+Na]+ 279.05230 163.9
[M+NH4]+ 274.09690 159.6
[M+K]+ 295.02624 162.0
[M-H]- 255.05580 151.6
[M+Na-2H]- 277.03775 159.3
[M]+ 256.06253 155.1
[M]- 256.06363 155.1
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

patents stripe