CID 43140138

3-bromo-1-methyl-2-phenyl-1h-indole

Structural Information

Molecular Formula
C15H12BrN
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)Br
InChI
InChI=1S/C15H12BrN/c1-17-13-10-6-5-9-12(13)14(16)15(17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
SOYJVFMQOKCVQX-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.01532 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02260 158.1
[M+Na]+ 308.00454 172.2
[M-H]- 284.00804 167.9
[M+NH4]+ 303.04914 179.6
[M+K]+ 323.97848 159.7
[M+H-H2O]+ 268.01258 157.6
[M+HCOO]- 330.01352 180.4
[M+CH3COO]- 344.02917 173.7
[M+Na-2H]- 305.98999 165.3
[M]+ 285.01477 178.7
[M]- 285.01587 178.7
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