CID 59264588

879275-72-6

Structural Information

Molecular Formula
C13H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)F
InChI
InChI=1S/C13H17BF2O2/c1-12(2)13(3,4)18-14(17-12)10-8-6-5-7-9(10)11(15)16/h5-8,11H,1-4H3
InChIKey
YUYOJSXBLFWGPR-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

254.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13625 150.8
[M+Na]+ 277.11819 160.3
[M-H]- 253.12169 157.0
[M+NH4]+ 272.16279 171.6
[M+K]+ 293.09213 160.1
[M+H-H2O]+ 237.12623 145.0
[M+HCOO]- 299.12717 168.8
[M+CH3COO]- 313.14282 195.2
[M+Na-2H]- 275.10364 154.7
[M]+ 254.12842 151.1
[M]- 254.12952 151.1
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