CID 19739808

1,3-dichloro-5-ethylbenzene

Structural Information

Molecular Formula
C8H8Cl2
SMILES
CCC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
InChIKey
DPCQFBWPRXQASW-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

174.0003 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00758 130.4
[M+Na]+ 196.98952 146.6
[M+NH4]+ 192.03412 141.1
[M+K]+ 212.96346 137.7
[M-H]- 172.99302 133.8
[M+Na-2H]- 194.97497 139.2
[M]+ 173.99975 134.5
[M]- 174.00085 134.5
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