CID 69330

1-chloro-4-ethylbenzene

Structural Information

Molecular Formula
C8H9Cl
SMILES
CCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey
GPOFSFLJOIAMSA-UHFFFAOYSA-N
Compound name
1-chloro-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4715
Patents

140.03928 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04656 124.4
[M+Na]+ 163.02850 139.9
[M+NH4]+ 158.07310 135.2
[M+K]+ 179.00244 131.4
[M-H]- 139.03200 128.1
[M+Na-2H]- 161.01395 133.6
[M]+ 140.03873 128.2
[M]- 140.03983 128.2
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