CID 165657276

En300-37330626

Structural Information

Molecular Formula
C14H17BClF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(C(F)Cl)(F)F
InChI
InChI=1S/C14H17BClF3O3/c1-12(2)13(3,4)22-15(21-12)9-6-5-7-10(8-9)20-14(18,19)11(16)17/h5-8,11H,1-4H3
InChIKey
VJWYUUXISWVHMV-UHFFFAOYSA-N
Compound name
2-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09113 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09841 166.0
[M+Na]+ 359.08035 176.0
[M-H]- 335.08385 170.7
[M+NH4]+ 354.12495 184.2
[M+K]+ 375.05429 174.4
[M+H-H2O]+ 319.08839 160.2
[M+HCOO]- 381.08933 176.7
[M+CH3COO]- 395.10498 207.1
[M+Na-2H]- 357.06580 169.7
[M]+ 336.09058 168.5
[M]- 336.09168 168.5
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.