CID 223538

Benzyl 2-chloroethyl ether

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC=C(C=C1)COCCCl
InChI
InChI=1S/C9H11ClO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
UPIMXDQREQJWMR-UHFFFAOYSA-N
Compound name
2-chloroethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

170.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.0
[M+Na]+ 193.03906 141.2
[M-H]- 169.04256 136.3
[M+NH4]+ 188.08366 154.3
[M+K]+ 209.01300 137.9
[M+H-H2O]+ 153.04710 128.2
[M+HCOO]- 215.04804 153.3
[M+CH3COO]- 229.06369 177.4
[M+Na-2H]- 191.02451 140.9
[M]+ 170.04929 136.3
[M]- 170.05039 136.3
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