CID 36712

Methylethoxychlor

Structural Information

Molecular Formula
C17H17Cl3O
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(Cl)(Cl)Cl
InChI
InChI=1S/C17H17Cl3O/c1-3-21-15-10-8-14(9-11-15)16(17(18,19)20)13-6-4-12(2)5-7-13/h4-11,16H,3H2,1-2H3
InChIKey
BXBLFNGPERAXLB-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.0345 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04178 174.5
[M+Na]+ 365.02372 183.1
[M-H]- 341.02722 179.2
[M+NH4]+ 360.06832 189.6
[M+K]+ 380.99766 176.0
[M+H-H2O]+ 325.03176 169.1
[M+HCOO]- 387.03270 180.4
[M+CH3COO]- 401.04835 208.7
[M+Na-2H]- 363.00917 176.7
[M]+ 342.03395 179.4
[M]- 342.03505 179.4
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