CID 66521629

(1-(4-(trifluoromethyl)phenyl)-1h-pyrazol-4-yl)boronic acid

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 149.6
[M+Na]+ 279.05230 158.7
[M-H]- 255.05580 148.0
[M+NH4]+ 274.09690 164.3
[M+K]+ 295.02624 154.5
[M+H-H2O]+ 239.06034 140.0
[M+HCOO]- 301.06128 164.9
[M+CH3COO]- 315.07693 187.7
[M+Na-2H]- 277.03775 152.6
[M]+ 256.06253 144.8
[M]- 256.06363 144.8
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