CID 137946910

2-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12364 163.2
[M+Na]+ 345.10558 173.8
[M-H]- 321.10908 165.8
[M+NH4]+ 340.15018 181.3
[M+K]+ 361.07952 172.7
[M+H-H2O]+ 305.11362 155.4
[M+HCOO]- 367.11456 176.0
[M+CH3COO]- 381.13021 207.5
[M+Na-2H]- 343.09103 165.3
[M]+ 322.11581 160.0
[M]- 322.11691 160.0
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.