CID 143742

4-methoxy-3-methylbenzyl chloride

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC1=C(C=CC(=C1)CCl)OC
InChI
InChI=1S/C9H11ClO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3
InChIKey
BHEHNICAPZVKRH-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

170.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 131.6
[M+Na]+ 193.03906 146.8
[M+NH4]+ 188.08366 141.7
[M+K]+ 209.01300 138.8
[M-H]- 169.04256 134.8
[M+Na-2H]- 191.02451 139.9
[M]+ 170.04929 135.2
[M]- 170.05039 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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