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

literature stripe

Patent stripe

patents stripe