CID 49817409

3-bromo-9-(2-ethylhexyl)-9h-carbazole

Structural Information

Molecular Formula
C20H24BrN
SMILES
CCCCC(CC)CN1C2=C(C=C(C=C2)Br)C3=CC=CC=C31
InChI
InChI=1S/C20H24BrN/c1-3-5-8-15(4-2)14-22-19-10-7-6-9-17(19)18-13-16(21)11-12-20(18)22/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey
NWUMJBPNVXDEDB-UHFFFAOYSA-N
Compound name
3-bromo-9-(2-ethylhexyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.10922 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11650 185.0
[M+Na]+ 380.09844 196.5
[M-H]- 356.10194 191.5
[M+NH4]+ 375.14304 204.7
[M+K]+ 396.07238 183.1
[M+H-H2O]+ 340.10648 183.8
[M+HCOO]- 402.10742 202.9
[M+CH3COO]- 416.12307 197.6
[M+Na-2H]- 378.08389 188.6
[M]+ 357.10867 207.5
[M]- 357.10977 207.5
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