CID 21398723

1-(1-chloroethyl)-2-methoxybenzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC(C1=CC=CC=C1OC)Cl
InChI
InChI=1S/C9H11ClO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,1-2H3
InChIKey
UIXXSMPGNUPHSA-UHFFFAOYSA-N
Compound name
1-(1-chloroethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.04984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.3
[M+Na]+ 193.03906 141.3
[M-H]- 169.04256 136.2
[M+NH4]+ 188.08366 154.0
[M+K]+ 209.01300 138.4
[M+H-H2O]+ 153.04710 127.9
[M+HCOO]- 215.04804 151.6
[M+CH3COO]- 229.06369 179.2
[M+Na-2H]- 191.02451 138.3
[M]+ 170.04929 135.4
[M]- 170.05039 135.4
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