CID 132353854

2088974-50-7

Structural Information

Molecular Formula
C14H16BF5O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C14H16BF5O2/c1-11(2)12(3,4)22-15(21-11)10-7-5-9(6-8-10)13(16,17)14(18,19)20/h5-8H,1-4H3
InChIKey
DVVCYFRDZZORQX-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

322.11636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12364 162.9
[M+Na]+ 345.10558 173.2
[M-H]- 321.10908 165.3
[M+NH4]+ 340.15018 180.8
[M+K]+ 361.07952 172.2
[M+H-H2O]+ 305.11362 155.3
[M+HCOO]- 367.11456 175.2
[M+CH3COO]- 381.13021 206.0
[M+Na-2H]- 343.09103 168.0
[M]+ 322.11581 159.3
[M]- 322.11691 159.3
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