CID 252777

7-nitro-4-fluorenecarboxylic acid

Structural Information

Molecular Formula

C₁₄H₉NO₄

SMILES

C1C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=CC=C2)C(=O)O

InChI

InChI=1S/C14H9NO4/c16-14(17)12-3-1-2-8-6-9-7-10(15(18)19)4-5-11(9)13(8)12/h1-5,7H,6H2,(H,16,17)

InChIKey

CDCCXRKAWJRWJX-UHFFFAOYSA-N

Compound name

7-nitro-9H-fluorene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 255.05316 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.060436	152.3
[M+Na]+	278.042378	160.2
[M-H]-	254.045884	157.0
[M+NH4]+	273.086983	171.4
[M+K]+	294.016318	152.4
[M+H-H2O]+	238.050420	151.2
[M+HCOO]-	300.051361	174.5
[M+CH3COO]-	314.067011	187.6
[M+Na-2H]-	276.027826	159.3
[M]+	255.05261142	151.8
[M]-	255.05370858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe