CID 167732403

En300-12603532

Structural Information

Molecular Formula
C14H17BF4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC(F)(F)F)F
InChI
InChI=1S/C14H17BF4O2/c1-12(2)13(3,4)21-15(20-12)10-6-5-9(11(16)7-10)8-14(17,18)19/h5-7H,8H2,1-4H3
InChIKey
LBWLLFXNWKISGB-UHFFFAOYSA-N
Compound name
2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13304 159.9
[M+Na]+ 327.11498 170.7
[M-H]- 303.11848 163.8
[M+NH4]+ 322.15958 179.0
[M+K]+ 343.08892 169.6
[M+H-H2O]+ 287.12302 152.9
[M+HCOO]- 349.12396 174.8
[M+CH3COO]- 363.13961 203.8
[M+Na-2H]- 325.10043 163.8
[M]+ 304.12521 158.6
[M]- 304.12631 158.6
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.