CID 10037225

635305-47-4

Structural Information

Molecular Formula
C12H16BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
InChIKey
CHQKHVZXPNHWEA-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

238.09319 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10047 146.5
[M+Na]+ 261.08241 157.2
[M-H]- 237.08591 155.4
[M+NH4]+ 256.12701 168.9
[M+K]+ 277.05635 155.7
[M+H-H2O]+ 221.09045 143.1
[M+HCOO]- 283.09139 163.3
[M+CH3COO]- 297.10704 189.7
[M+Na-2H]- 259.06786 152.8
[M]+ 238.09264 151.1
[M]- 238.09374 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe