CID 66521199

(5-cyclopropyl-2-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H20BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C3CC3)C(F)(F)F
InChI
InChI=1S/C16H20BF3O2/c1-14(2)15(3,4)22-17(21-14)13-9-11(10-5-6-10)7-8-12(13)16(18,19)20/h7-10H,5-6H2,1-4H3
InChIKey
SXELOZNXVJAYCW-UHFFFAOYSA-N
Compound name
2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15813 157.4
[M+Na]+ 335.14007 168.4
[M-H]- 311.14357 166.1
[M+NH4]+ 330.18467 171.2
[M+K]+ 351.11401 168.2
[M+H-H2O]+ 295.14811 150.8
[M+HCOO]- 357.14905 172.2
[M+CH3COO]- 371.16470 207.7
[M+Na-2H]- 333.12552 161.6
[M]+ 312.15030 159.7
[M]- 312.15140 159.7
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.