CID 588115

37859-25-9

Structural Information

Molecular Formula
C12H9ClO
SMILES
C1=CC=C2C=C(C=CC2=C1)CC(=O)Cl
InChI
InChI=1S/C12H9ClO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
QEJGMKHQXSZCOS-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

204.0342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 139.8
[M+Na]+ 227.02342 149.2
[M-H]- 203.02692 144.4
[M+NH4]+ 222.06802 160.9
[M+K]+ 242.99736 144.3
[M+H-H2O]+ 187.03146 134.8
[M+HCOO]- 249.03240 158.2
[M+CH3COO]- 263.04805 184.8
[M+Na-2H]- 225.00887 147.4
[M]+ 204.03365 142.2
[M]- 204.03475 142.2
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

patents stripe