CID 12249108

1-(chloromethyl)-4-propoxybenzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
CCCOC1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H13ClO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8H2,1H3
InChIKey
VDOPPUPAYILRDO-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

184.06549 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 136.7
[M+Na]+ 207.05471 151.3
[M+NH4]+ 202.09931 146.6
[M+K]+ 223.02865 142.9
[M-H]- 183.05821 139.8
[M+Na-2H]- 205.04016 144.9
[M]+ 184.06494 140.1
[M]- 184.06604 140.1
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