CID 142574441

2-[2-chloro-4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H18BClF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(C)(F)F)Cl
InChI
InChI=1S/C14H18BClF2O2/c1-12(2)13(3,4)20-15(19-12)10-7-6-9(8-11(10)16)14(5,17)18/h6-8H,1-5H3
InChIKey
QUCXNAYKTXLTQH-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.10565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11293 159.2
[M+Na]+ 325.09487 170.5
[M-H]- 301.09837 165.6
[M+NH4]+ 320.13947 179.3
[M+K]+ 341.06881 168.2
[M+H-H2O]+ 285.10291 154.6
[M+HCOO]- 347.10385 171.8
[M+CH3COO]- 361.11950 202.6
[M+Na-2H]- 323.08032 163.9
[M]+ 302.10510 162.4
[M]- 302.10620 162.4
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