CID 17581

Chloroneb

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
COC1=CC(=C(C=C1Cl)OC)Cl
InChI
InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
PFIADAMVCJPXSF-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9
References

24667
Patents

205.99013 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99741 135.1
[M+Na]+ 228.97935 146.8
[M-H]- 204.98285 139.0
[M+NH4]+ 224.02395 156.2
[M+K]+ 244.95329 142.8
[M+H-H2O]+ 188.98739 131.8
[M+HCOO]- 250.98833 150.8
[M+CH3COO]- 265.00398 184.4
[M+Na-2H]- 226.96480 140.7
[M]+ 205.98958 141.6
[M]- 205.99068 141.6
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