CID 16218150

870717-92-3

Structural Information

Molecular Formula
C13H15BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)C=O)F
InChI
InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)11-9(15)5-8(7-17)6-10(11)16/h5-7H,1-4H3
InChIKey
KWYZDHWDFMOVOR-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

268.10825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11553 160.8
[M+Na]+ 291.09747 172.0
[M+NH4]+ 286.14207 169.6
[M+K]+ 307.07141 164.9
[M-H]- 267.10097 163.1
[M+Na-2H]- 289.08292 166.4
[M]+ 268.10770 163.2
[M]- 268.10880 163.2
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