CID 168226344

2-(6,7-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(C(=CC3=CC=C2)F)F
InChI
InChI=1S/C16H17BF2O2/c1-15(2)16(3,4)21-17(20-15)12-7-5-6-10-8-13(18)14(19)9-11(10)12/h5-9H,1-4H3
InChIKey
HMNZTOYVKJJOMP-UHFFFAOYSA-N
Compound name
2-(6,7-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13625 160.6
[M+Na]+ 313.11819 172.5
[M-H]- 289.12169 168.2
[M+NH4]+ 308.16279 181.4
[M+K]+ 329.09213 170.4
[M+H-H2O]+ 273.12623 153.7
[M+HCOO]- 335.12717 178.3
[M+CH3COO]- 349.14282 174.2
[M+Na-2H]- 311.10364 165.0
[M]+ 290.12842 162.1
[M]- 290.12952 162.1
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.