CID 22032303

887757-48-4

Structural Information

Molecular Formula
C13H17BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8,11H,1-4H3
InChIKey
BPFSJXBWEVRJFH-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

270.12387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13115 154.1
[M+Na]+ 293.11309 163.4
[M-H]- 269.11659 160.2
[M+NH4]+ 288.15769 174.1
[M+K]+ 309.08703 163.8
[M+H-H2O]+ 253.12113 148.1
[M+HCOO]- 315.12207 172.3
[M+CH3COO]- 329.13772 197.3
[M+Na-2H]- 291.09854 158.1
[M]+ 270.12332 155.8
[M]- 270.12442 155.8
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