CID 131245413

1823131-50-5

Structural Information

Molecular Formula
C14H17BClFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(C=CC=C2Cl)F
InChI
InChI=1S/C14H17BClFO2/c1-13(2)14(3,4)19-15(18-13)9-8-10-11(16)6-5-7-12(10)17/h5-9H,1-4H3/b9-8+
InChIKey
JAUSZTZQVMKBCF-CMDGGOBGSA-N
Compound name
2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

282.09943 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10671 156.7
[M+Na]+ 305.08865 167.9
[M-H]- 281.09215 164.2
[M+NH4]+ 300.13325 177.5
[M+K]+ 321.06259 164.9
[M+H-H2O]+ 265.09669 152.3
[M+HCOO]- 327.09763 172.0
[M+CH3COO]- 341.11328 198.0
[M+Na-2H]- 303.07410 160.7
[M]+ 282.09888 160.6
[M]- 282.09998 160.6
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