CID 88801

Alpha,4-dichloroanisole

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
C1=CC(=CC=C1OCCl)Cl
InChI
InChI=1S/C7H6Cl2O/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
InChIKey
PJLGIZXAYTZSIZ-UHFFFAOYSA-N
Compound name
1-chloro-4-(chloromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

175.97957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 129.0
[M+Na]+ 198.96879 144.6
[M+NH4]+ 194.01339 139.3
[M+K]+ 214.94273 136.2
[M-H]- 174.97229 131.9
[M+Na-2H]- 196.95424 137.8
[M]+ 175.97902 132.8
[M]- 175.98012 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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