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]+ 189.023236 134.8
[M+Na]+ 211.005178 145.3
[M-H]- 187.008684 138.0
[M+NH4]+ 206.049783 156.4
[M+K]+ 226.979118 139.9
[M+H-H2O]+ 171.013220 131.3
[M+HCOO]- 233.014161 149.6
[M+CH3COO]- 247.029811 182.4
[M+Na-2H]- 208.990626 140.5
[M]+ 188.01541142 138.3
[M]- 188.01650858 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.