CID 53582

3,4-dichloro-2-methoxyphenol

Structural Information

Molecular Formula
C7H6Cl2O2
SMILES
COC1=C(C=CC(=C1Cl)Cl)O
InChI
InChI=1S/C7H6Cl2O2/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3,10H,1H3
InChIKey
YQDGZRGOCDIQJQ-UHFFFAOYSA-N
Compound name
3,4-dichloro-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

191.97449 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98177 130.8
[M+Na]+ 214.96371 142.5
[M-H]- 190.96721 133.6
[M+NH4]+ 210.00831 151.8
[M+K]+ 230.93765 137.9
[M+H-H2O]+ 174.97175 128.1
[M+HCOO]- 236.97269 145.4
[M+CH3COO]- 250.98834 178.8
[M+Na-2H]- 212.94916 136.5
[M]+ 191.97394 135.1
[M]- 191.97504 135.1
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