CID 139035950

5-fluoro-3,3-bis(4-fluorophenyl)benzo[c][1,2]oxaborol-1(3h)-ol

Structural Information

Molecular Formula
C19H12BF3O2
SMILES
B1(C2=C(C=C(C=C2)F)C(O1)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H12BF3O2/c21-14-5-1-12(2-6-14)19(13-3-7-15(22)8-4-13)17-11-16(23)9-10-18(17)20(24)25-19/h1-11,24H
InChIKey
GYMSYJIUICZFDE-UHFFFAOYSA-N
Compound name
5-fluoro-3,3-bis(4-fluorophenyl)-1-hydroxy-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.08826 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09554 174.9
[M+Na]+ 363.07748 186.3
[M-H]- 339.08098 182.3
[M+NH4]+ 358.12208 191.4
[M+K]+ 379.05142 180.2
[M+H-H2O]+ 323.08552 164.7
[M+HCOO]- 385.08646 192.6
[M+CH3COO]- 399.10211 186.5
[M+Na-2H]- 361.06293 177.2
[M]+ 340.08771 172.5
[M]- 340.08881 172.5
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.