CID 9824607

Npc-17923

Structural Information

Molecular Formula
C23H17Cl2NO4
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)CCOC2C3=C(C=CC(=C3)Cl)C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2NO4/c24-14-3-7-17-18-8-4-15(25)12-20(18)22(19(17)11-14)30-10-9-21(27)26-16-5-1-13(2-6-16)23(28)29/h1-8,11-12,22H,9-10H2,(H,26,27)(H,28,29)
InChIKey
JTYWUQLFBWFIEV-UHFFFAOYSA-N
Compound name
4-[3-[(2,7-dichloro-9H-fluoren-9-yl)oxy]propanoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

441.05347 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.06075 200.7
[M+Na]+ 464.04269 209.7
[M-H]- 440.04619 207.6
[M+NH4]+ 459.08729 214.3
[M+K]+ 480.01663 202.3
[M+H-H2O]+ 424.05073 194.4
[M+HCOO]- 486.05167 211.3
[M+CH3COO]- 500.06732 210.0
[M+Na-2H]- 462.02814 200.7
[M]+ 441.05292 207.8
[M]- 441.05402 207.8
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