CID 107188

(2-chloro-1-methoxyethyl)benzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
COC(CCl)C1=CC=CC=C1
InChI
InChI=1S/C9H11ClO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
CMBMUYICTPOEOA-UHFFFAOYSA-N
Compound name
(2-chloro-1-methoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

170.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.057116 133.1
[M+Na]+ 193.039058 141.1
[M-H]- 169.042564 136.6
[M+NH4]+ 188.083663 154.4
[M+K]+ 209.012998 138.2
[M+H-H2O]+ 153.047100 128.4
[M+HCOO]- 215.048041 152.4
[M+CH3COO]- 229.063691 178.2
[M+Na-2H]- 191.024506 139.8
[M]+ 170.04929142 135.9
[M]- 170.05038858 135.9
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