CID 88169920

1351478-38-0

Structural Information

Molecular Formula
C14H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C=O)C(F)(F)F
InChI
InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)10-6-5-9(8-19)11(7-10)14(16,17)18/h5-8H,1-4H3
InChIKey
RZBTVGGBTYPKGB-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

300.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12175 158.2
[M+Na]+ 323.10369 169.1
[M-H]- 299.10719 163.5
[M+NH4]+ 318.14829 177.4
[M+K]+ 339.07763 168.4
[M+H-H2O]+ 283.11173 152.2
[M+HCOO]- 345.11267 174.6
[M+CH3COO]- 359.12832 202.4
[M+Na-2H]- 321.08914 163.1
[M]+ 300.11392 158.9
[M]- 300.11502 158.9
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