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]+ 208.99308 134.2
[M+Na]+ 230.97502 146.0
[M-H]- 206.97852 136.7
[M+NH4]+ 226.01962 155.2
[M+K]+ 246.94896 141.1
[M+H-H2O]+ 190.98306 130.1
[M+HCOO]- 252.98400 148.7
[M+CH3COO]- 266.99965 185.1
[M+Na-2H]- 228.96047 139.3
[M]+ 207.98525 138.2
[M]- 207.98635 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.