CID 126827515

3-(7-bromo-2-phenyl-1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C17H14BrNO2
SMILES
C1=CC=C(C=C1)C2=C(C3=C(N2)C(=CC=C3)Br)CCC(=O)O
InChI
InChI=1S/C17H14BrNO2/c18-14-8-4-7-12-13(9-10-15(20)21)16(19-17(12)14)11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,20,21)
InChIKey
UDQBWCIDLUPERI-UHFFFAOYSA-N
Compound name
3-(7-bromo-2-phenyl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

343.02078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.02806 173.5
[M+Na]+ 366.01000 185.2
[M-H]- 342.01350 180.3
[M+NH4]+ 361.05460 190.9
[M+K]+ 381.98394 171.6
[M+H-H2O]+ 326.01804 172.7
[M+HCOO]- 388.01898 191.7
[M+CH3COO]- 402.03463 186.3
[M+Na-2H]- 363.99545 177.6
[M]+ 343.02023 192.6
[M]- 343.02133 192.6
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