CID 86071764

3,6-dibromo-9-(4-dodecyloxyphenyl)-9h-carbazole

Structural Information

Molecular Formula
C30H35Br2NO
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C30H35Br2NO/c1-2-3-4-5-6-7-8-9-10-11-20-34-26-16-14-25(15-17-26)33-29-18-12-23(31)21-27(29)28-22-24(32)13-19-30(28)33/h12-19,21-22H,2-11,20H2,1H3
InChIKey
VWCTWVHXOOAKSE-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(4-dodecoxyphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.1085 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.11578 222.2
[M+Na]+ 606.09772 230.2
[M-H]- 582.10122 230.3
[M+NH4]+ 601.14232 234.1
[M+K]+ 622.07166 213.5
[M+H-H2O]+ 566.10576 227.6
[M+HCOO]- 628.10670 234.1
[M+CH3COO]- 642.12235 230.8
[M+Na-2H]- 604.08317 222.0
[M]+ 583.10795 261.1
[M]- 583.10905 261.1
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.