CID 524314

1-butyl-4-chlorobenzene

Structural Information

Molecular Formula
C10H13Cl
SMILES
CCCCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey
SKNUPXIXICTRJE-UHFFFAOYSA-N
Compound name
1-butyl-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1387
Patents

168.07057 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07785 133.7
[M+Na]+ 191.05979 148.8
[M+NH4]+ 186.10439 144.1
[M+K]+ 207.03373 139.8
[M-H]- 167.06329 137.3
[M+Na-2H]- 189.04524 142.3
[M]+ 168.07002 137.3
[M]- 168.07112 137.3
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