CID 12253173

1-(chloromethyl)-4-propylbenzene

Structural Information

Molecular Formula
C10H13Cl
SMILES
CCCC1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H13Cl/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8H2,1H3
InChIKey
OCGNQJCQAQWYOI-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

168.07057 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe