CID 133683427

2-[4-chloro-2-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H16BClF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C(F)F
InChI
InChI=1S/C13H16BClF2O2/c1-12(2)13(3,4)19-14(18-12)10-6-5-8(15)7-9(10)11(16)17/h5-7,11H,1-4H3
InChIKey
WCKXWRKLDJPAQC-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09728 155.7
[M+Na]+ 311.07922 166.7
[M-H]- 287.08272 162.0
[M+NH4]+ 306.12382 176.2
[M+K]+ 327.05316 164.6
[M+H-H2O]+ 271.08726 150.7
[M+HCOO]- 333.08820 169.1
[M+CH3COO]- 347.10385 200.1
[M+Na-2H]- 309.06467 158.6
[M]+ 288.08945 158.4
[M]- 288.09055 158.4
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.