CID 2775473

3,6-dibromo-9-[(oxiran-2-yl)methyl]-9h-carbazole

Structural Information

Molecular Formula
C15H11Br2NO
SMILES
C1C(O1)CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
InChIKey
DGMRGIDWASSLGY-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

378.92075 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.92803 168.4
[M+Na]+ 401.90997 182.9
[M-H]- 377.91347 179.4
[M+NH4]+ 396.95457 182.9
[M+K]+ 417.88391 168.4
[M+H-H2O]+ 361.91801 176.2
[M+HCOO]- 423.91895 183.6
[M+CH3COO]- 437.93460 182.0
[M+Na-2H]- 399.89542 174.9
[M]+ 378.92020 205.8
[M]- 378.92130 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe