CID 137346823

2121512-03-4

Structural Information

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

0
Patents

268.10825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11553 149.9
[M+Na]+ 291.09747 161.6
[M-H]- 267.10097 156.8
[M+NH4]+ 286.14207 170.6
[M+K]+ 307.07141 161.0
[M+H-H2O]+ 251.10551 144.5
[M+HCOO]- 313.10645 169.2
[M+CH3COO]- 327.12210 198.1
[M+Na-2H]- 289.08292 154.1
[M]+ 268.10770 152.4
[M]- 268.10880 152.4
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.