CID 90407043

1431983-70-8

Structural Information

Molecular Formula
C16H20BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C(F)(F)F
InChI
InChI=1S/C16H20BF3O2/c1-13(2)14(3,4)22-17(21-13)12-7-5-11(6-8-12)15(9-10-15)16(18,19)20/h5-8H,9-10H2,1-4H3
InChIKey
QEZJJXANJCAUIW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

312.15085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15813 156.1
[M+Na]+ 335.14007 167.0
[M-H]- 311.14357 164.8
[M+NH4]+ 330.18467 171.5
[M+K]+ 351.11401 168.0
[M+H-H2O]+ 295.14811 150.3
[M+HCOO]- 357.14905 170.6
[M+CH3COO]- 371.16470 206.4
[M+Na-2H]- 333.12552 162.2
[M]+ 312.15030 158.6
[M]- 312.15140 158.6
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