CID 2769359

Tris(4-fluorophenyl)boroxine

Structural Information

Molecular Formula
C18H12B3F3O3
SMILES
B1(OB(OB(O1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H12B3F3O3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKey
AHYNJLHYJZXUSD-UHFFFAOYSA-N
Compound name
2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

366.10178 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10906 184.7
[M+Na]+ 389.09100 193.4
[M-H]- 365.09450 195.5
[M+NH4]+ 384.13560 192.6
[M+K]+ 405.06494 191.1
[M+H-H2O]+ 349.09904 171.8
[M+HCOO]- 411.09998 199.6
[M+CH3COO]- 425.11563 194.9
[M+Na-2H]- 387.07645 187.0
[M]+ 366.10123 181.4
[M]- 366.10233 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe