CID 89535548

850153-24-1

Structural Information

Molecular Formula
C24H24BBr2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H24BBr2NO2/c1-23(2)24(3,4)30-25(29-23)17-5-11-20(12-6-17)28(21-13-7-18(26)8-14-21)22-15-9-19(27)10-16-22/h5-16H,1-4H3
InChIKey
XVOQIMZHMJQJEC-UHFFFAOYSA-N
Compound name
N,N-bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

527.0267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.03398 204.1
[M+Na]+ 550.01592 212.6
[M-H]- 526.01942 219.4
[M+NH4]+ 545.06052 218.1
[M+K]+ 565.98986 201.0
[M+H-H2O]+ 510.02396 210.8
[M+HCOO]- 572.02490 217.7
[M+CH3COO]- 586.04055 215.3
[M+Na-2H]- 548.00137 205.8
[M]+ 527.02615 240.3
[M]- 527.02725 240.3
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

patents stripe