CID 159665

2504-32-7

Structural Information

Molecular Formula
C18H14ClNO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)O
InChI
InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
InChIKey
KMLNWQPYFBIALN-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

60
Patents

343.06113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06841 175.7
[M+Na]+ 366.05035 186.8
[M-H]- 342.05385 181.0
[M+NH4]+ 361.09495 190.6
[M+K]+ 382.02429 180.5
[M+H-H2O]+ 326.05839 169.4
[M+HCOO]- 388.05933 191.0
[M+CH3COO]- 402.07498 206.6
[M+Na-2H]- 364.03580 176.1
[M]+ 343.06058 181.4
[M]- 343.06168 181.4
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

No patent data available for this compound.