CID 16414270

1011460-68-6

Structural Information

Molecular Formula
C9H14BF3O2
SMILES
B1(OC(CC(O1)(C)C)C)C(=C)C(F)(F)F
InChI
InChI=1S/C9H14BF3O2/c1-6-5-8(3,4)15-10(14-6)7(2)9(11,12)13/h6H,2,5H2,1,3-4H3
InChIKey
GGSSZVWESZQFOZ-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

222.1039 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11118 143.3
[M+Na]+ 245.09312 150.9
[M-H]- 221.09662 144.3
[M+NH4]+ 240.13772 161.4
[M+K]+ 261.06706 151.8
[M+H-H2O]+ 205.10116 136.9
[M+HCOO]- 267.10210 156.4
[M+CH3COO]- 281.11775 188.9
[M+Na-2H]- 243.07857 148.1
[M]+ 222.10335 138.9
[M]- 222.10445 138.9
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