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

68
Patents

184.06549 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.1
[M+Na]+ 207.054708 145.9
[M-H]- 183.058214 140.7
[M+NH4]+ 202.099313 158.3
[M+K]+ 223.028648 142.3
[M+H-H2O]+ 167.062750 132.4
[M+HCOO]- 229.063691 157.1
[M+CH3COO]- 243.079341 181.4
[M+Na-2H]- 205.040156 143.8
[M]+ 184.06494142 141.2
[M]- 184.06603858 141.2
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