CID 165431172

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

Structural Information

Molecular Formula
C13H16BClF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC(F)F)Cl
InChI
InChI=1S/C13H16BClF2O3/c1-12(2)13(3,4)20-14(19-12)9-6-5-8(7-10(9)15)18-11(16)17/h5-7,11H,1-4H3
InChIKey
KWORWIRNDVGZRU-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0849 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09218 158.6
[M+Na]+ 327.07412 169.5
[M-H]- 303.07762 164.9
[M+NH4]+ 322.11872 178.4
[M+K]+ 343.04806 168.0
[M+H-H2O]+ 287.08216 153.6
[M+HCOO]- 349.08310 172.3
[M+CH3COO]- 363.09875 202.1
[M+Na-2H]- 325.05957 161.7
[M]+ 304.08435 162.8
[M]- 304.08545 162.8
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

No patent data available for this compound.