CID 13906771

9-(4-bromobutyl)-9h-carbazole

Structural Information

Molecular Formula
C16H16BrN
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCBr
InChI
InChI=1S/C16H16BrN/c17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2
InChIKey
IXCQFUSWIBGIQG-UHFFFAOYSA-N
Compound name
9-(4-bromobutyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

301.0466 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05388 165.3
[M+Na]+ 324.03582 178.2
[M-H]- 300.03932 172.2
[M+NH4]+ 319.08042 187.0
[M+K]+ 340.00976 165.3
[M+H-H2O]+ 284.04386 164.8
[M+HCOO]- 346.04480 185.7
[M+CH3COO]- 360.06045 179.6
[M+Na-2H]- 322.02127 173.0
[M]+ 301.04605 186.9
[M]- 301.04715 186.9
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