CID 70146

1-naphthoyl chloride

Structural Information

Molecular Formula
C11H7ClO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)Cl
InChI
InChI=1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
NSNPSJGHTQIXDO-UHFFFAOYSA-N
Compound name
naphthalene-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

6106
Patents

190.01854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02582 135.0
[M+Na]+ 213.00776 144.8
[M-H]- 189.01126 139.8
[M+NH4]+ 208.05236 156.6
[M+K]+ 228.98170 140.1
[M+H-H2O]+ 173.01580 130.2
[M+HCOO]- 235.01674 153.7
[M+CH3COO]- 249.03239 181.8
[M+Na-2H]- 210.99321 143.1
[M]+ 190.01799 137.1
[M]- 190.01909 137.1
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