CID 110604

68575-36-0

Structural Information

Molecular Formula
C9H8Cl2
SMILES
CC(=C)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,1H2,2H3
InChIKey
CSXMJJOTTRDXHY-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

186.0003 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00758 133.1
[M+Na]+ 208.98952 143.6
[M-H]- 184.99302 136.5
[M+NH4]+ 204.03412 154.6
[M+K]+ 224.96346 138.1
[M+H-H2O]+ 168.99756 129.9
[M+HCOO]- 230.99850 147.2
[M+CH3COO]- 245.01415 182.3
[M+Na-2H]- 206.97497 137.7
[M]+ 185.99975 135.4
[M]- 186.00085 135.4
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