CID 5128447

2-propyl-1,3,2-benzodioxaborole

Structural Information

Molecular Formula
C9H11BO2
SMILES
B1(OC2=CC=CC=C2O1)CCC
InChI
InChI=1S/C9H11BO2/c1-2-7-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3
InChIKey
VIKLNEIFCBHZLL-UHFFFAOYSA-N
Compound name
2-propyl-1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 130.7
[M+Na]+ 185.07442 143.9
[M+NH4]+ 180.11902 140.5
[M+K]+ 201.04836 139.5
[M-H]- 161.07792 135.9
[M+Na-2H]- 183.05987 136.0
[M]+ 162.08465 134.1
[M]- 162.08575 134.1
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