CID 81045530

2-(2-chloro-4-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H17BClFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)F)C
InChI
InChI=1S/C13H17BClFO2/c1-8-6-9(10(15)7-11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
REUGMEUOIFHIPY-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09943 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10671 151.5
[M+Na]+ 293.08865 163.6
[M-H]- 269.09215 159.5
[M+NH4]+ 288.13325 173.2
[M+K]+ 309.06259 161.5
[M+H-H2O]+ 253.09669 147.7
[M+HCOO]- 315.09763 166.9
[M+CH3COO]- 329.11328 197.7
[M+Na-2H]- 291.07410 155.6
[M]+ 270.09888 156.2
[M]- 270.09998 156.2
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.