CID 521435

1-chloro-4-propylbenzene

Structural Information

Molecular Formula
C9H11Cl
SMILES
CCCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H11Cl/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey
QXQAPNSHUJORMC-UHFFFAOYSA-N
Compound name
1-chloro-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8407
Patents

154.05493 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06221 129.1
[M+Na]+ 177.04415 144.4
[M+NH4]+ 172.08875 139.7
[M+K]+ 193.01809 135.6
[M-H]- 153.04765 132.7
[M+Na-2H]- 175.02960 138.0
[M]+ 154.05438 132.8
[M]- 154.05548 132.8
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