CID 155291396

2246650-11-1

Structural Information

Molecular Formula
C13H21BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCC(CC2)(F)F
InChI
InChI=1S/C13H21BF2O2/c1-11(2)12(3,4)18-14(17-11)9-10-5-7-13(15,16)8-6-10/h9H,5-8H2,1-4H3
InChIKey
WRDOUMZACBBSSN-UHFFFAOYSA-N
Compound name
2-[(4,4-difluorocyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.16028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16756 151.3
[M+Na]+ 281.14950 159.3
[M-H]- 257.15300 156.7
[M+NH4]+ 276.19410 173.7
[M+K]+ 297.12344 158.9
[M+H-H2O]+ 241.15754 146.4
[M+HCOO]- 303.15848 166.1
[M+CH3COO]- 317.17413 193.9
[M+Na-2H]- 279.13495 155.1
[M]+ 258.15973 147.5
[M]- 258.16083 147.5
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.