CID 131637744

3-bromo-9-(3,5-dimethylphenyl)-9h-carbazole

Structural Information

Molecular Formula
C20H16BrN
SMILES
CC1=CC(=CC(=C1)N2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)C
InChI
InChI=1S/C20H16BrN/c1-13-9-14(2)11-16(10-13)22-19-6-4-3-5-17(19)18-12-15(21)7-8-20(18)22/h3-12H,1-2H3
InChIKey
RSNROIVDIAMOTI-UHFFFAOYSA-N
Compound name
3-bromo-9-(3,5-dimethylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0466 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05388 179.1
[M+Na]+ 372.03582 193.7
[M-H]- 348.03932 189.9
[M+NH4]+ 367.08042 199.2
[M+K]+ 388.00976 180.1
[M+H-H2O]+ 332.04386 178.0
[M+HCOO]- 394.04480 199.3
[M+CH3COO]- 408.06045 193.4
[M+Na-2H]- 370.02127 184.5
[M]+ 349.04605 200.5
[M]- 349.04715 200.5
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

No patent data available for this compound.