CID 2760588

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Structural Information

Molecular Formula
C13H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChIKey
NWEMAGLLVQDEKL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

247.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14525 152.6
[M+Na]+ 270.12719 161.1
[M-H]- 246.13069 160.9
[M+NH4]+ 265.17179 172.9
[M+K]+ 286.10113 161.4
[M+H-H2O]+ 230.13523 148.2
[M+HCOO]- 292.13617 173.3
[M+CH3COO]- 306.15182 195.5
[M+Na-2H]- 268.11264 157.1
[M]+ 247.13742 154.2
[M]- 247.13852 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe