CID 165819564

En300-37470820

Structural Information

Molecular Formula
C14H16BBrF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(C(F)(F)Br)(F)F
InChI
InChI=1S/C14H16BBrF4O3/c1-11(2)12(3,4)23-15(22-11)9-6-5-7-10(8-9)21-14(19,20)13(16,17)18/h5-8H,1-4H3
InChIKey
ISPPAUJOVDWITQ-UHFFFAOYSA-N
Compound name
2-[3-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0312 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03848 181.3
[M+Na]+ 421.02042 193.9
[M-H]- 397.02392 187.3
[M+NH4]+ 416.06502 199.7
[M+K]+ 436.99436 185.3
[M+H-H2O]+ 381.02846 180.7
[M+HCOO]- 443.02940 192.8
[M+CH3COO]- 457.04505 214.1
[M+Na-2H]- 419.00587 187.2
[M]+ 398.03065 199.1
[M]- 398.03175 199.1
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

No patent data available for this compound.