CID 11768772

Refchem:562382

Structural Information

Molecular Formula
C9H9Cl
SMILES
C=CC(C1=CC=CC=C1)Cl
InChI
InChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKey
SLBOQBILGNEPEB-UHFFFAOYSA-N
Compound name
1-chloroprop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

14364
Patents

152.03928 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.046556 128.6
[M+Na]+ 175.028498 136.9
[M-H]- 151.032004 132.1
[M+NH4]+ 170.073103 150.6
[M+K]+ 191.002438 132.9
[M+H-H2O]+ 135.036540 124.2
[M+HCOO]- 197.037481 147.9
[M+CH3COO]- 211.053131 175.3
[M+Na-2H]- 173.013946 135.3
[M]+ 152.03873142 129.2
[M]- 152.03982858 129.2
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