CID 99524

2-chloro-1-phenyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C(=O)O
InChI
InChI=1S/C15H10ClNO2/c16-14-13(15(18)19)11-8-4-5-9-12(11)17(14)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChIKey
FWZUBSMPPRSUSD-UHFFFAOYSA-N
Compound name
2-chloro-1-phenylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

271.04 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 157.5
[M+Na]+ 294.02922 169.1
[M-H]- 270.03272 163.6
[M+NH4]+ 289.07382 175.8
[M+K]+ 310.00316 162.6
[M+H-H2O]+ 254.03726 150.9
[M+HCOO]- 316.03820 175.8
[M+CH3COO]- 330.05385 170.7
[M+Na-2H]- 292.01467 162.1
[M]+ 271.03945 161.6
[M]- 271.04055 161.6
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