CID 137949079

2097735-73-2

Structural Information

Molecular Formula
C13H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CF
InChI
InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
InChIKey
JIDCVQSWPPKZFD-UHFFFAOYSA-N
Compound name
2-[3-(fluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13838 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.145656 147.1
[M+Na]+ 259.127598 156.8
[M-H]- 235.131104 154.7
[M+NH4]+ 254.172203 168.8
[M+K]+ 275.101538 156.6
[M+H-H2O]+ 219.135640 142.0
[M+HCOO]- 281.136581 167.2
[M+CH3COO]- 295.152231 191.6
[M+Na-2H]- 257.113046 152.9
[M]+ 236.13783142 149.2
[M]- 236.13892858 149.2
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.