CID 36714

Methoxy-methiochlor

Structural Information

Molecular Formula
C16H15Cl3OS
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H15Cl3OS/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
InChIKey
YHDIGZDVODUGOD-UHFFFAOYSA-N
Compound name
1-methoxy-4-[2,2,2-trichloro-1-(4-methylsulfanylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.9909 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.99818 174.4
[M+Na]+ 382.98012 183.1
[M-H]- 358.98362 179.9
[M+NH4]+ 378.02472 189.5
[M+K]+ 398.95406 176.2
[M+H-H2O]+ 342.98816 169.8
[M+HCOO]- 404.98910 176.0
[M+CH3COO]- 419.00475 209.3
[M+Na-2H]- 380.96557 174.8
[M]+ 359.99035 180.9
[M]- 359.99145 180.9
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