CID 58072690

1242145-44-3

Structural Information

Molecular Formula
C15H18BF3O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)OC(F)(F)F
InChI
InChI=1S/C15H18BF3O5/c1-13(2)14(3,4)24-16(23-13)9-6-7-10(12(20)21-5)11(8-9)22-15(17,18)19/h6-8H,1-5H3
InChIKey
ABQURIWFQPWOTQ-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

346.11993 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12721 168.8
[M+Na]+ 369.10915 178.7
[M-H]- 345.11265 173.9
[M+NH4]+ 364.15375 185.9
[M+K]+ 385.08309 179.6
[M+H-H2O]+ 329.11719 162.7
[M+HCOO]- 391.11813 184.2
[M+CH3COO]- 405.13378 209.9
[M+Na-2H]- 367.09460 172.5
[M]+ 346.11938 172.1
[M]- 346.12048 172.1
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

patents stripe