CID 15955888

(2z)-2-[6-chloro-9-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydrocarbazol-2-ylidene]-2-hydroxy-acetic acid

Structural Information

Molecular Formula
C21H15ClFNO4
SMILES
C1CC(=C(C2=C1C3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)Cl)O)C(=O)C(=O)O
InChI
InChI=1S/C21H15ClFNO4/c22-12-3-8-17-16(9-12)14-6-7-15(20(26)21(27)28)19(25)18(14)24(17)10-11-1-4-13(23)5-2-11/h1-5,8-9,25H,6-7,10H2,(H,27,28)
InChIKey
IUDGLGCHZNZIGL-UHFFFAOYSA-N
Compound name
2-[6-chloro-9-[(4-fluorophenyl)methyl]-1-hydroxy-3,4-dihydrocarbazol-2-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.06735 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.07463 189.1
[M+Na]+ 422.05657 199.8
[M-H]- 398.06007 193.5
[M+NH4]+ 417.10117 202.4
[M+K]+ 438.03051 192.3
[M+H-H2O]+ 382.06461 181.3
[M+HCOO]- 444.06555 200.3
[M+CH3COO]- 458.08120 198.9
[M+Na-2H]- 420.04202 188.5
[M]+ 399.06680 192.7
[M]- 399.06790 192.7
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

No patent data available for this compound.