CID 121553210

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

Structural Information

Molecular Formula
C14H19BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)NC)Cl
InChI
InChI=1S/C14H19BClNO3/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(18)17-5/h6-8H,1-5H3,(H,17,18)
InChIKey
SHEJUMLHFARHDG-UHFFFAOYSA-N
Compound name
3-chloro-N-methyl-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

295.11465 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12193 162.7
[M+Na]+ 318.10387 172.5
[M-H]- 294.10737 171.6
[M+NH4]+ 313.14847 182.6
[M+K]+ 334.07781 170.9
[M+H-H2O]+ 278.11191 159.1
[M+HCOO]- 340.11285 179.2
[M+CH3COO]- 354.12850 203.4
[M+Na-2H]- 316.08932 166.7
[M]+ 295.11410 168.0
[M]- 295.11520 168.0
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.