CID 72221211

1055881-27-0

Structural Information

Molecular Formula
C9H14BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C(F)(F)F
InChI
InChI=1S/C9H14BF3O2/c1-6(9(11,12)13)10-14-7(2,3)8(4,5)15-10/h1H2,2-5H3
InChIKey
XIHQTEZBKPUQTH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

222.1039 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11118 138.6
[M+Na]+ 245.09312 148.0
[M-H]- 221.09662 140.2
[M+NH4]+ 240.13772 160.6
[M+K]+ 261.06706 149.0
[M+H-H2O]+ 205.10116 134.5
[M+HCOO]- 267.10210 153.9
[M+CH3COO]- 281.11775 188.3
[M+Na-2H]- 243.07857 144.2
[M]+ 222.10335 136.8
[M]- 222.10445 136.8
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