CID 16127

2,6-dichloroanisole

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
COC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKey
KZLMCDNAVVJKPX-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

542
Patents

175.97957 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 128.3
[M+Na]+ 198.96879 139.6
[M-H]- 174.97229 131.9
[M+NH4]+ 194.01339 150.3
[M+K]+ 214.94273 135.2
[M+H-H2O]+ 158.97683 125.1
[M+HCOO]- 220.97777 144.0
[M+CH3COO]- 234.99342 178.4
[M+Na-2H]- 196.95424 135.1
[M]+ 175.97902 132.6
[M]- 175.98012 132.6
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

patents stripe