CID 225970

Nsc15889

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C17H14O4/c18-15(19)9-14(17(20)21)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19)(H,20,21)
InChIKey
HGTCLOVEROWTJE-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-yl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

282.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 163.3
[M+Na]+ 305.07842 170.0
[M-H]- 281.08192 166.1
[M+NH4]+ 300.12302 181.2
[M+K]+ 321.05236 166.0
[M+H-H2O]+ 265.08646 157.7
[M+HCOO]- 327.08740 180.6
[M+CH3COO]- 341.10305 197.1
[M+Na-2H]- 303.06387 165.2
[M]+ 282.08865 163.9
[M]- 282.08975 163.9
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.