CID 64664268

2-chloro-1-ethenyl-3,4-dimethoxybenzene

Structural Information

Molecular Formula
C10H11ClO2
SMILES
COC1=C(C(=C(C=C1)C=C)Cl)OC
InChI
InChI=1S/C10H11ClO2/c1-4-7-5-6-8(12-2)10(13-3)9(7)11/h4-6H,1H2,2-3H3
InChIKey
WHIVXVFMXJNWRJ-UHFFFAOYSA-N
Compound name
2-chloro-1-ethenyl-3,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.04475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 137.3
[M+Na]+ 221.033968 148.2
[M-H]- 197.037474 141.7
[M+NH4]+ 216.078573 158.4
[M+K]+ 237.007908 144.6
[M+H-H2O]+ 181.042010 133.0
[M+HCOO]- 243.042951 157.7
[M+CH3COO]- 257.058601 184.8
[M+Na-2H]- 219.019416 142.7
[M]+ 198.04420142 143.0
[M]- 198.04529858 143.0
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

patents stripe