CID 11830500

153724-93-7

Structural Information

Molecular Formula
C9H16BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCl
InChI
InChI=1S/C9H16BClO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H,7H2,1-4H3/b6-5+
InChIKey
HLBDNUSUVDDICF-AATRIKPKSA-N
Compound name
2-[(E)-3-chloroprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

202.09319 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10047 137.9
[M+Na]+ 225.08241 147.6
[M-H]- 201.08591 143.0
[M+NH4]+ 220.12701 161.6
[M+K]+ 241.05635 146.6
[M+H-H2O]+ 185.09045 136.1
[M+HCOO]- 247.09139 154.2
[M+CH3COO]- 261.10704 182.6
[M+Na-2H]- 223.06786 144.6
[M]+ 202.09264 142.4
[M]- 202.09374 142.4
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