CID 56737680

1643467-83-7

Structural Information

Molecular Formula
C13H15BClF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)OC(F)(F)F
InChI
InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)9-7-8(15)5-6-10(9)19-13(16,17)18/h5-7H,1-4H3
InChIKey
YCQFKWSTTHUHSP-UHFFFAOYSA-N
Compound name
2-[5-chloro-2-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.0755 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08278 160.8
[M+Na]+ 345.06472 172.5
[M-H]- 321.06822 166.0
[M+NH4]+ 340.10932 180.0
[M+K]+ 361.03866 170.7
[M+H-H2O]+ 305.07276 155.3
[M+HCOO]- 367.07370 172.8
[M+CH3COO]- 381.08935 203.8
[M+Na-2H]- 343.05017 165.7
[M]+ 322.07495 163.9
[M]- 322.07605 163.9
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