CID 72219516

2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Structural Information

Molecular Formula
C13H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)N)O
InChI
InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(15)17)10(16)7-8/h5-7,16H,1-4H3,(H2,15,17)
InChIKey
PVONIIMRMAROHL-UHFFFAOYSA-N
Compound name
2-hydroxy-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

0
Patents

263.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14015 155.6
[M+Na]+ 286.12209 164.5
[M-H]- 262.12559 162.9
[M+NH4]+ 281.16669 174.7
[M+K]+ 302.09603 164.5
[M+H-H2O]+ 246.13013 151.6
[M+HCOO]- 308.13107 174.9
[M+CH3COO]- 322.14672 196.7
[M+Na-2H]- 284.10754 159.3
[M]+ 263.13232 157.3
[M]- 263.13342 157.3
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

No patent data available for this compound.