CID 59351393

1227068-84-9

Structural Information

Molecular Formula
C12H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(F)F
InChI
InChI=1S/C12H19BF2O2/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9/h5H,6-8H2,1-4H3
InChIKey
WSLRIJFIFPFAFB-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

244.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15190 145.9
[M+Na]+ 267.13384 155.0
[M-H]- 243.13734 151.8
[M+NH4]+ 262.17844 168.9
[M+K]+ 283.10778 155.2
[M+H-H2O]+ 227.14188 141.0
[M+HCOO]- 289.14282 162.3
[M+CH3COO]- 303.15847 192.0
[M+Na-2H]- 265.11929 151.1
[M]+ 244.14407 144.0
[M]- 244.14517 144.0
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

patents stripe