CID 90150396

1610372-97-8

Structural Information

Molecular Formula
C15H21BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)N(C)C)Cl
InChI
InChI=1S/C15H21BClNO3/c1-14(2)15(3,4)21-16(20-14)11-8-7-10(9-12(11)17)13(19)18(5)6/h7-9H,1-6H3
InChIKey
QFUBBJAMLAVMIF-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethyl-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

13
Patents

309.1303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13758 166.1
[M+Na]+ 332.11952 175.6
[M-H]- 308.12302 176.2
[M+NH4]+ 327.16412 186.0
[M+K]+ 348.09346 175.3
[M+H-H2O]+ 292.12756 162.4
[M+HCOO]- 354.12850 182.8
[M+CH3COO]- 368.14415 209.7
[M+Na-2H]- 330.10497 168.9
[M]+ 309.12975 172.9
[M]- 309.13085 172.9
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