CID 129914345

1-chloro-4-(chloromethyl)-2-ethylbenzene

Structural Information

Molecular Formula
C9H10Cl2
SMILES
CCC1=C(C=CC(=C1)CCl)Cl
InChI
InChI=1S/C9H10Cl2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,6H2,1H3
InChIKey
RPDLAJSLUVJQEK-UHFFFAOYSA-N
Compound name
1-chloro-4-(chloromethyl)-2-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.01596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02324 134.8
[M+Na]+ 211.00518 145.3
[M-H]- 187.00868 138.0
[M+NH4]+ 206.04978 156.4
[M+K]+ 226.97912 139.9
[M+H-H2O]+ 171.01322 131.3
[M+HCOO]- 233.01416 149.6
[M+CH3COO]- 247.02981 182.4
[M+Na-2H]- 208.99063 140.5
[M]+ 188.01541 138.3
[M]- 188.01651 138.3
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

No patent data available for this compound.