CID 200567

2265-38-5

Structural Information

Molecular Formula
C21H12B3F9O3
SMILES
B1(OB(OB(O1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C21H12B3F9O3/c25-19(26,27)13-4-1-7-16(10-13)22-34-23(17-8-2-5-14(11-17)20(28,29)30)36-24(35-22)18-9-3-6-15(12-18)21(31,32)33/h1-12H
InChIKey
BPXVEDGZHWALCO-UHFFFAOYSA-N
Compound name
2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

516.09216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.09944 217.7
[M+Na]+ 539.08138 227.0
[M-H]- 515.08488 220.9
[M+NH4]+ 534.12598 219.6
[M+K]+ 555.05532 223.2
[M+H-H2O]+ 499.08942 200.4
[M+HCOO]- 561.09036 220.5
[M+CH3COO]- 575.10601 239.4
[M+Na-2H]- 537.06683 217.8
[M]+ 516.09161 206.6
[M]- 516.09271 206.6
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