CID 215536

Ru 4932

Structural Information

Molecular Formula
C19H15ClFNO3
SMILES
CC1=C(C2=C(N1C(C)C(=O)O)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H15ClFNO3/c1-10-17(18(23)12-3-6-14(21)7-4-12)15-8-5-13(20)9-16(15)22(10)11(2)19(24)25/h3-9,11H,1-2H3,(H,24,25)
InChIKey
SAPVNWINMSBGTE-UHFFFAOYSA-N
Compound name
2-[6-chloro-3-(4-fluorobenzoyl)-2-methylindol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.07245 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.07973 179.1
[M+Na]+ 382.06167 190.0
[M-H]- 358.06517 184.1
[M+NH4]+ 377.10627 193.9
[M+K]+ 398.03561 183.5
[M+H-H2O]+ 342.06971 171.6
[M+HCOO]- 404.07065 193.2
[M+CH3COO]- 418.08630 213.8
[M+Na-2H]- 380.04712 177.5
[M]+ 359.07190 184.0
[M]- 359.07300 184.0
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.