CID 2754230

C.i. acid black 47

Structural Information

Molecular Formula
C10H8O
SMILES
C1C=CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,6-7H,5H2
InChIKey
NJEAJBBKRDXYPX-UHFFFAOYSA-N
Compound name
4H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

2153
Patents

144.05751 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06479 125.1
[M+Na]+ 167.04673 133.8
[M-H]- 143.05023 129.9
[M+NH4]+ 162.09133 147.7
[M+K]+ 183.02067 131.0
[M+H-H2O]+ 127.05477 119.6
[M+HCOO]- 189.05571 148.3
[M+CH3COO]- 203.07136 174.4
[M+Na-2H]- 165.03218 134.5
[M]+ 144.05696 123.8
[M]- 144.05806 123.8
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

patents stripe