CID 167728984

1-chloro-2-(chloromethyl)-3-fluoro-4-methoxybenzene

Structural Information

Molecular Formula
C8H7Cl2FO
SMILES
COC1=C(C(=C(C=C1)Cl)CCl)F
InChI
InChI=1S/C8H7Cl2FO/c1-12-7-3-2-6(10)5(4-9)8(7)11/h2-3H,4H2,1H3
InChIKey
XNQMFRMKWYQWQU-UHFFFAOYSA-N
Compound name
1-chloro-2-(chloromethyl)-3-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9858 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.993076 134.2
[M+Na]+ 230.975018 146.0
[M-H]- 206.978524 136.7
[M+NH4]+ 226.019623 155.2
[M+K]+ 246.948958 141.1
[M+H-H2O]+ 190.983060 130.1
[M+HCOO]- 252.984001 148.7
[M+CH3COO]- 266.999651 185.1
[M+Na-2H]- 228.960466 139.3
[M]+ 207.98525142 138.2
[M]- 207.98634858 138.2
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.