CID 15954781

5-[5-[2,6-dichloro-4-(3-chloro-2-furyl)phenoxy]pentyl]-3-methyl-isoxazole

Structural Information

Molecular Formula
C19H18Cl3NO3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=C(C=CO3)Cl)Cl
InChI
InChI=1S/C19H18Cl3NO3/c1-12-9-14(26-23-12)5-3-2-4-7-24-19-16(21)10-13(11-17(19)22)18-15(20)6-8-25-18/h6,8-11H,2-5,7H2,1H3
InChIKey
SVVSVYMNCQRGSM-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dichloro-4-(3-chlorofuran-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.03522 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04250 197.7
[M+Na]+ 436.02444 209.2
[M-H]- 412.02794 206.1
[M+NH4]+ 431.06904 209.7
[M+K]+ 451.99838 203.9
[M+H-H2O]+ 396.03248 190.6
[M+HCOO]- 458.03342 205.9
[M+CH3COO]- 472.04907 208.3
[M+Na-2H]- 434.00989 195.5
[M]+ 413.03467 209.6
[M]- 413.03577 209.6
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.