CID 789915

3-(3,6-dichloro-9h-carbazol-9-yl)propanoic acid

Structural Information

Molecular Formula
C15H11Cl2NO2
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2CCC(=O)O)C=CC(=C3)Cl
InChI
InChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)
InChIKey
KDYNAXRKXFKHLN-UHFFFAOYSA-N
Compound name
3-(3,6-dichlorocarbazol-9-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

307.0167 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02398 165.1
[M+Na]+ 330.00592 177.8
[M-H]- 306.00942 168.2
[M+NH4]+ 325.05052 183.8
[M+K]+ 345.97986 170.2
[M+H-H2O]+ 290.01396 160.0
[M+HCOO]- 352.01490 176.5
[M+CH3COO]- 366.03055 177.3
[M+Na-2H]- 327.99137 168.8
[M]+ 307.01615 171.9
[M]- 307.01725 171.9
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