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

2
Patents

200.06041 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.067686 140.2
[M+Na]+ 223.049628 148.6
[M-H]- 199.053134 143.9
[M+NH4]+ 218.094233 160.6
[M+K]+ 239.023568 146.0
[M+H-H2O]+ 183.057670 135.3
[M+HCOO]- 245.058611 159.4
[M+CH3COO]- 259.074261 184.2
[M+Na-2H]- 221.035076 145.6
[M]+ 200.05986142 145.2
[M]- 200.06095858 145.2
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