CID 6300245

Nsc684728

Structural Information

Molecular Formula
C11H19BF2O2
SMILES
B(O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)(F)F
InChI
InChI=1S/C11H19BF2O2/c1-10(2,3)8(15)7-9(11(4,5)6)16-12(13)14/h7H,1-6H3/b9-7-
InChIKey
RDRZXKQQYJHJEF-CLFYSBASSA-N
Compound name
(Z)-5-difluoroboranyloxy-2,2,6,6-tetramethylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15190 150.0
[M+Na]+ 255.13384 156.2
[M-H]- 231.13734 147.7
[M+NH4]+ 250.17844 168.4
[M+K]+ 271.10778 155.7
[M+H-H2O]+ 215.14188 144.5
[M+HCOO]- 277.14282 164.9
[M+CH3COO]- 291.15847 193.5
[M+Na-2H]- 253.11929 151.3
[M]+ 232.14407 149.5
[M]- 232.14517 149.5
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.