CID 517846

2,4-dichloro-1-(prop-1-en-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.0003 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.007576 133.1
[M+Na]+ 208.989518 143.6
[M-H]- 184.993024 136.5
[M+NH4]+ 204.034123 154.6
[M+K]+ 224.963458 138.1
[M+H-H2O]+ 168.997560 129.9
[M+HCOO]- 230.998501 147.2
[M+CH3COO]- 245.014151 182.3
[M+Na-2H]- 206.974966 137.7
[M]+ 185.99975142 135.4
[M]- 186.00084858 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