CID 162345292

Ns00133282

Structural Information

Molecular Formula
C12H9ClO2
SMILES
CC(=O)C1=CC2=CC(=C(C=C2C=C1)O)Cl
InChI
InChI=1S/C12H9ClO2/c1-7(14)8-2-3-9-6-12(15)11(13)5-10(9)4-8/h2-6,15H,1H3
InChIKey
LPXUIRQCESHUQZ-UHFFFAOYSA-N
Compound name
1-(7-chloro-6-hydroxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.02911 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.036386 142.2
[M+Na]+ 243.018328 153.0
[M-H]- 219.021834 146.2
[M+NH4]+ 238.062933 162.6
[M+K]+ 258.992268 147.9
[M+H-H2O]+ 203.026370 137.9
[M+HCOO]- 265.027311 159.4
[M+CH3COO]- 279.042961 186.5
[M+Na-2H]- 241.003776 148.1
[M]+ 220.02856142 145.1
[M]- 220.02965858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.