CID 72221122

1165935-97-6

Structural Information

Molecular Formula
C13H15BClF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)8-5-6-9(10(15)7-8)13(16,17)18/h5-7H,1-4H3
InChIKey
NMSGFQRKMAIWHH-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

306.08057 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08785 157.8
[M+Na]+ 329.06979 169.6
[M-H]- 305.07329 163.1
[M+NH4]+ 324.11439 177.8
[M+K]+ 345.04373 167.2
[M+H-H2O]+ 289.07783 152.4
[M+HCOO]- 351.07877 169.7
[M+CH3COO]- 365.09442 201.8
[M+Na-2H]- 327.05524 162.5
[M]+ 306.08002 159.4
[M]- 306.08112 159.4
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

patents stripe