CID 254901

Nsc79636

Structural Information

Molecular Formula
C14H7Br4N
SMILES
C1=CC=C(C=C1)C2=C(C3=C(C(=C(C=C3N2)Br)Br)Br)Br
InChI
InChI=1S/C14H7Br4N/c15-8-6-9-10(12(17)11(8)16)13(18)14(19-9)7-4-2-1-3-5-7/h1-6,19H
InChIKey
PLNWQTNEDRMRCP-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrabromo-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.7312 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.73848 159.4
[M+Na]+ 527.72042 166.0
[M-H]- 503.72392 164.4
[M+NH4]+ 522.76502 169.4
[M+K]+ 543.69436 154.1
[M+H-H2O]+ 487.72846 178.3
[M+HCOO]- 549.72940 165.2
[M+CH3COO]- 563.74505 166.9
[M+Na-2H]- 525.70587 161.6
[M]+ 504.73065 198.3
[M]- 504.73175 198.3
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.