CID 162345489

Ns00132751

Structural Information

Molecular Formula
C13H7ClO3
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C(=CC(=C3Cl)O)O
InChI
InChI=1S/C13H7ClO3/c14-12-9(16)5-8(15)11-10(12)6-3-1-2-4-7(6)13(11)17/h1-5,15-16H
InChIKey
SFWGWARAIFZLFI-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dihydroxyfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00838 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.015656 148.5
[M+Na]+ 268.997598 161.7
[M-H]- 245.001104 153.0
[M+NH4]+ 264.042203 170.4
[M+K]+ 284.971538 155.2
[M+H-H2O]+ 229.005640 145.0
[M+HCOO]- 291.006581 165.5
[M+CH3COO]- 305.022231 162.6
[M+Na-2H]- 266.983046 153.6
[M]+ 246.00783142 152.4
[M]- 246.00892858 152.4
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.