CID 2434831

4-chloromethyl-1,2-diethoxy-benzene

Structural Information

Molecular Formula
C11H15ClO2
SMILES
CCOC1=C(C=C(C=C1)CCl)OCC
InChI
InChI=1S/C11H15ClO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8H2,1-2H3
InChIKey
TXBSWQWDLFJQMU-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,2-diethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

366
Patents

214.07605 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08333 144.3
[M+Na]+ 237.06527 153.5
[M-H]- 213.06877 148.0
[M+NH4]+ 232.10987 164.4
[M+K]+ 253.03921 150.2
[M+H-H2O]+ 197.07331 139.3
[M+HCOO]- 259.07425 164.1
[M+CH3COO]- 273.08990 187.5
[M+Na-2H]- 235.05072 149.6
[M]+ 214.07550 150.6
[M]- 214.07660 150.6
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