CID 142617982

2-(4-(3,3-difluorocyclobutyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H21BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CC(C3)(F)F
InChI
InChI=1S/C16H21BF2O2/c1-14(2)15(3,4)21-17(20-14)13-7-5-11(6-8-13)12-9-16(18,19)10-12/h5-8,12H,9-10H2,1-4H3
InChIKey
WRCBGEAYMXTKOI-UHFFFAOYSA-N
Compound name
2-[4-(3,3-difluorocyclobutyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

294.16028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16756 157.6
[M+Na]+ 317.14950 166.2
[M-H]- 293.15300 167.0
[M+NH4]+ 312.19410 172.4
[M+K]+ 333.12344 167.8
[M+H-H2O]+ 277.15754 148.3
[M+HCOO]- 339.15848 174.1
[M+CH3COO]- 353.17413 205.2
[M+Na-2H]- 315.13495 161.3
[M]+ 294.15973 166.2
[M]- 294.16083 166.2
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

patents stripe