CID 2063971

1-(chloromethyl)-4-ethoxybenzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
CCOC1=CC=C(C=C1)CCl
InChI
InChI=1S/C9H11ClO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChIKey
DCLMJYZEOSDVCL-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

170.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.1
[M+Na]+ 193.03906 146.9
[M+NH4]+ 188.08366 142.1
[M+K]+ 209.01300 138.7
[M-H]- 169.04256 135.2
[M+Na-2H]- 191.02451 140.5
[M]+ 170.04929 135.5
[M]- 170.05039 135.5
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