CID 4379666

9-benzyl-3-bromo-9h-carbazole

Structural Information

Molecular Formula
C19H14BrN
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42
InChI
InChI=1S/C19H14BrN/c20-15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKey
NMNQVRIUUBFICK-UHFFFAOYSA-N
Compound name
9-benzyl-3-bromocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

335.03094 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03822 174.2
[M+Na]+ 358.02016 187.5
[M-H]- 334.02366 184.4
[M+NH4]+ 353.06476 194.3
[M+K]+ 373.99410 174.2
[M+H-H2O]+ 318.02820 173.0
[M+HCOO]- 380.02914 194.8
[M+CH3COO]- 394.04479 188.3
[M+Na-2H]- 356.00561 181.5
[M]+ 335.03039 194.6
[M]- 335.03149 194.6
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