CID 18541714

2-(1,3,2-dioxaborolan-2-yl)benzonitrile

Structural Information

Molecular Formula
C9H8BNO2
SMILES
B1(OCCO1)C2=CC=CC=C2C#N
InChI
InChI=1S/C9H8BNO2/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-6H2
InChIKey
GRFUGZGLLUTBFG-UHFFFAOYSA-N
Compound name
2-(1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

173.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07208 131.9
[M+Na]+ 196.05402 142.1
[M-H]- 172.05752 138.3
[M+NH4]+ 191.09862 149.2
[M+K]+ 212.02796 140.3
[M+H-H2O]+ 156.06206 119.3
[M+HCOO]- 218.06300 150.8
[M+CH3COO]- 232.07865 144.9
[M+Na-2H]- 194.03947 138.7
[M]+ 173.06425 127.0
[M]- 173.06535 127.0
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