CID 14817334

1-chloro-3-(2,2-dimethoxyethyl)benzene

Structural Information

Molecular Formula
C10H13ClO2
SMILES
COC(CC1=CC(=CC=C1)Cl)OC
InChI
InChI=1S/C10H13ClO2/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3
InChIKey
HXFDKNFRSDFQDE-UHFFFAOYSA-N
Compound name
1-chloro-3-(2,2-dimethoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06041 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06769 139.9
[M+Na]+ 223.04963 153.6
[M+NH4]+ 218.09423 149.0
[M+K]+ 239.02357 146.5
[M-H]- 199.05313 142.2
[M+Na-2H]- 221.03508 147.2
[M]+ 200.05986 142.8
[M]- 200.06096 142.8
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

No patent data available for this compound.