CID 520661

1-chloro-4-(dimethoxymethyl)benzene

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC(C1=CC=C(C=C1)Cl)OC
InChI
InChI=1S/C9H11ClO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey
YRNBYTFFWMWTGG-UHFFFAOYSA-N
Compound name
1-chloro-4-(dimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

186.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.3
[M+Na]+ 209.03397 149.3
[M+NH4]+ 204.07857 144.6
[M+K]+ 225.00791 142.4
[M-H]- 185.03747 137.6
[M+Na-2H]- 207.01942 142.8
[M]+ 186.04420 138.3
[M]- 186.04530 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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