CID 43516332

1,5-dichloro-3-(chloromethyl)-2-methoxybenzene

Structural Information

Molecular Formula
C8H7Cl3O
SMILES
COC1=C(C=C(C=C1Cl)Cl)CCl
InChI
InChI=1S/C8H7Cl3O/c1-12-8-5(4-9)2-6(10)3-7(8)11/h2-3H,4H2,1H3
InChIKey
FUJZMLUYIBCPOT-UHFFFAOYSA-N
Compound name
1,5-dichloro-3-(chloromethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95625 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96353 138.9
[M+Na]+ 246.94547 150.4
[M-H]- 222.94897 141.4
[M+NH4]+ 241.99007 159.1
[M+K]+ 262.91941 145.0
[M+H-H2O]+ 206.95351 136.3
[M+HCOO]- 268.95445 148.8
[M+CH3COO]- 282.97010 188.0
[M+Na-2H]- 244.93092 143.3
[M]+ 223.95570 143.8
[M]- 223.95680 143.8
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.