CID 2760634

35675-44-6

Structural Information

Molecular Formula
C9H9ClO
SMILES
CC1=CC=C(C=C1)CC(=O)Cl
InChI
InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3
InChIKey
QDZAWVLWIMOXJT-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

168.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 131.6
[M+Na]+ 191.02342 146.1
[M+NH4]+ 186.06802 141.3
[M+K]+ 206.99736 138.6
[M-H]- 167.02692 134.3
[M+Na-2H]- 189.00887 139.6
[M]+ 168.03365 134.8
[M]- 168.03475 134.8
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

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