CID 60676587

7-bromo-2-phenyl-1h-indole

Structural Information

Molecular Formula
C14H10BrN
SMILES
C1=CC=C(C=C1)C2=CC3=C(N2)C(=CC=C3)Br
InChI
InChI=1S/C14H10BrN/c15-12-8-4-7-11-9-13(16-14(11)12)10-5-2-1-3-6-10/h1-9,16H
InChIKey
AOFJPJJSKNIJGQ-UHFFFAOYSA-N
Compound name
7-bromo-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.99966 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00694 154.0
[M+Na]+ 293.98888 167.3
[M-H]- 269.99238 162.3
[M+NH4]+ 289.03348 175.1
[M+K]+ 309.96282 154.1
[M+H-H2O]+ 253.99692 153.9
[M+HCOO]- 315.99786 175.3
[M+CH3COO]- 330.01351 169.0
[M+Na-2H]- 291.97433 162.1
[M]+ 270.99911 172.3
[M]- 271.00021 172.3
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