CID 17750248

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

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

88
Patents

290.1101 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11738 155.1
[M+Na]+ 313.09932 166.4
[M-H]- 289.10282 159.2
[M+NH4]+ 308.14392 174.8
[M+K]+ 329.07326 165.5
[M+H-H2O]+ 273.10736 148.3
[M+HCOO]- 335.10830 170.4
[M+CH3COO]- 349.12395 200.9
[M+Na-2H]- 311.08477 159.6
[M]+ 290.10955 153.5
[M]- 290.11065 153.5
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