CID 2735720

1-chloro-4-(3-chloropropyl)benzene

Structural Information

Molecular Formula
C9H10Cl2
SMILES
C1=CC(=CC=C1CCCCl)Cl
InChI
InChI=1S/C9H10Cl2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey
FYUVHLUSUWWUPY-UHFFFAOYSA-N
Compound name
1-chloro-4-(3-chloropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

188.01596 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02324 135.5
[M+Na]+ 211.00518 145.0
[M-H]- 187.00868 138.3
[M+NH4]+ 206.04978 156.7
[M+K]+ 226.97912 139.6
[M+H-H2O]+ 171.01322 131.7
[M+HCOO]- 233.01416 150.3
[M+CH3COO]- 247.02981 181.3
[M+Na-2H]- 208.99063 141.8
[M]+ 188.01541 138.6
[M]- 188.01651 138.6
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