CID 2530231

1-(chloromethyl)-2-ethoxybenzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
CCOC1=CC=CC=C1CCl
InChI
InChI=1S/C9H11ClO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2,7H2,1H3
InChIKey
SVMOJICBHLWIDJ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

170.04984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.4
[M+Na]+ 193.03906 141.6
[M-H]- 169.04256 136.1
[M+NH4]+ 188.08366 154.1
[M+K]+ 209.01300 138.2
[M+H-H2O]+ 153.04710 127.8
[M+HCOO]- 215.04804 152.7
[M+CH3COO]- 229.06369 178.4
[M+Na-2H]- 191.02451 139.6
[M]+ 170.04929 136.1
[M]- 170.05039 136.1
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