CID 165987691

En300-37369588

Structural Information

Molecular Formula
C14H15BClF5O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(C(F)(F)F)(F)F)Cl
InChI
InChI=1S/C14H15BClF5O2/c1-11(2)12(3,4)23-15(22-11)9-6-5-8(7-10(9)16)13(17,18)14(19,20)21/h5-7H,1-4H3
InChIKey
VXRVWNJHPQPMTQ-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0774 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08468 167.2
[M+Na]+ 379.06662 179.1
[M-H]- 355.07012 169.9
[M+NH4]+ 374.11122 185.0
[M+K]+ 395.04056 176.2
[M+H-H2O]+ 339.07466 160.5
[M+HCOO]- 401.07560 175.1
[M+CH3COO]- 415.09125 210.8
[M+Na-2H]- 377.05207 171.5
[M]+ 356.07685 166.2
[M]- 356.07795 166.2
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.