CID 213488

Hm 957/c

Structural Information

Molecular Formula
C21H17Cl4NO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C21H17Cl4NO4/c1-12-16(10-19(27)30-11-21(23,24)25)17-9-15(29-2)7-8-18(17)26(12)20(28)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3
InChIKey
ISNLEEXPKGZNJI-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

486.99118 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.99846 206.0
[M+Na]+ 509.98040 216.5
[M-H]- 485.98390 210.0
[M+NH4]+ 505.02500 217.0
[M+K]+ 525.95434 210.4
[M+H-H2O]+ 469.98844 200.0
[M+HCOO]- 531.98938 205.6
[M+CH3COO]- 546.00503 231.1
[M+Na-2H]- 507.96585 203.7
[M]+ 486.99063 216.0
[M]- 486.99173 216.0
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

patents stripe