CID 10921254

1-[(chloromethoxy)methyl]-4-methoxybenzene

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC1=CC=C(C=C1)COCCl
InChI
InChI=1S/C9H11ClO2/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5H,6-7H2,1H3
InChIKey
DNZXMWKFPMIKRG-UHFFFAOYSA-N
Compound name
1-(chloromethoxymethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

186.04475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.4
[M+Na]+ 209.03397 144.6
[M-H]- 185.03747 139.2
[M+NH4]+ 204.07857 156.4
[M+K]+ 225.00791 141.7
[M+H-H2O]+ 169.04201 130.6
[M+HCOO]- 231.04295 155.9
[M+CH3COO]- 245.05860 180.4
[M+Na-2H]- 207.01942 142.6
[M]+ 186.04420 140.6
[M]- 186.04530 140.6
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