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]+ 199.05203 137.3
[M+Na]+ 221.03397 148.2
[M-H]- 197.03747 141.7
[M+NH4]+ 216.07857 158.4
[M+K]+ 237.00791 144.6
[M+H-H2O]+ 181.04201 133.0
[M+HCOO]- 243.04295 157.7
[M+CH3COO]- 257.05860 184.8
[M+Na-2H]- 219.01942 142.7
[M]+ 198.04420 143.0
[M]- 198.04530 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