CID 155820849

2-[3,5-dichloro-4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H15BCl2F2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)OC(F)F)Cl
InChI
InChI=1S/C13H15BCl2F2O3/c1-12(2)13(3,4)21-14(20-12)7-5-8(15)10(9(16)6-7)19-11(17)18/h5-6,11H,1-4H3
InChIKey
WMFUAYAPMLXVCQ-UHFFFAOYSA-N
Compound name
2-[3,5-dichloro-4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.04593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05321 162.5
[M+Na]+ 361.03515 174.4
[M-H]- 337.03865 168.4
[M+NH4]+ 356.07975 181.5
[M+K]+ 377.00909 171.5
[M+H-H2O]+ 321.04319 158.4
[M+HCOO]- 383.04413 171.1
[M+CH3COO]- 397.05978 207.6
[M+Na-2H]- 359.02060 164.4
[M]+ 338.04538 168.1
[M]- 338.04648 168.1
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.