CID 72218211

2130860-50-1

Structural Information

Molecular Formula
C9H14BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(F)(F)F
InChI
InChI=1S/C9H14BF3O2/c1-7(2)8(3,4)15-10(14-7)6-5-9(11,12)13/h5-6H,1-4H3/b6-5+
InChIKey
LSQJLEDIJPQESE-AATRIKPKSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoroprop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1039 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11118 139.0
[M+Na]+ 245.09312 148.7
[M-H]- 221.09662 140.5
[M+NH4]+ 240.13772 161.1
[M+K]+ 261.06706 149.2
[M+H-H2O]+ 205.10116 134.6
[M+HCOO]- 267.10210 155.3
[M+CH3COO]- 281.11775 186.8
[M+Na-2H]- 243.07857 145.6
[M]+ 222.10335 137.7
[M]- 222.10445 137.7
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.