CID 17169

Chlorflurecol

Structural Information

Molecular Formula
C14H9ClO3
SMILES
C1=CC=C2C(=C1)C3=C(C2(C(=O)O)O)C=C(C=C3)Cl
InChI
InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)
InChIKey
SVOAUHHKPGKPQK-UHFFFAOYSA-N
Compound name
2-chloro-9-hydroxyfluorene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

10634
Patents

260.02402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03130 153.8
[M+Na]+ 283.01324 165.5
[M-H]- 259.01674 157.8
[M+NH4]+ 278.05784 176.5
[M+K]+ 298.98718 159.1
[M+H-H2O]+ 243.02128 150.2
[M+HCOO]- 305.02222 169.5
[M+CH3COO]- 319.03787 167.0
[M+Na-2H]- 280.99869 159.7
[M]+ 260.02347 157.0
[M]- 260.02457 157.0
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