CID 569210

Diisopropoxyphenylborane

Structural Information

Molecular Formula
C12H19BO2
SMILES
B(C1=CC=CC=C1)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H19BO2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
DQKUIEDINFBQDR-UHFFFAOYSA-N
Compound name
phenyl-di(propan-2-yloxy)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

206.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15509 148.0
[M+Na]+ 229.13703 153.0
[M-H]- 205.14053 151.1
[M+NH4]+ 224.18163 166.8
[M+K]+ 245.11097 152.7
[M+H-H2O]+ 189.14507 141.7
[M+HCOO]- 251.14601 168.8
[M+CH3COO]- 265.16166 189.4
[M+Na-2H]- 227.12248 150.5
[M]+ 206.14726 150.3
[M]- 206.14836 150.3
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