CID 17750248

1073353-68-0

Structural Information

Molecular Formula
C13H15BF4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(F)(F)F)F
InChI
InChI=1S/C13H15BF4O2/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h5-7H,1-4H3
InChIKey
ZXEYGQNXUCXTBK-UHFFFAOYSA-N
Compound name
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

290.1101 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11738 172.7
[M+Na]+ 313.09932 180.7
[M+NH4]+ 308.14392 179.3
[M+K]+ 329.07326 174.4
[M-H]- 289.10282 171.5
[M+Na-2H]- 311.08477 176.2
[M]+ 290.10955 173.6
[M]- 290.11065 173.6
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