CID 155294561

2-{[3-chloro-5-(trifluoromethyl)phenyl]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H17BClF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC(=C2)Cl)C(F)(F)F
InChI
InChI=1S/C14H17BClF3O2/c1-12(2)13(3,4)21-15(20-12)8-9-5-10(14(17,18)19)7-11(16)6-9/h5-7H,8H2,1-4H3
InChIKey
OPGKXAHZARXENI-UHFFFAOYSA-N
Compound name
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10350 162.6
[M+Na]+ 343.08544 174.0
[M-H]- 319.08894 167.6
[M+NH4]+ 338.13004 182.0
[M+K]+ 359.05938 171.3
[M+H-H2O]+ 303.09348 157.0
[M+HCOO]- 365.09442 174.1
[M+CH3COO]- 379.11007 204.7
[M+Na-2H]- 341.07089 166.7
[M]+ 320.09567 164.5
[M]- 320.09677 164.5
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.