CID 69711

5-fluoroorotic acid

Structural Information

Molecular Formula

C₅H₃FN₂O₄

SMILES

C1(=C(NC(=O)NC1=O)C(=O)O)F

InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

InChIKey

SEHFUALWMUWDKS-UHFFFAOYSA-N

Compound name

5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 386
References: 8810
Patents: 174.00769 Da
Monoisotopic Mass: -0.9
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]+	175.01497	131.3
[M+Na]+	196.99691	141.7
[M+NH4]+	192.04151	135.2
[M+K]+	212.97085	139.3
[M-H]-	173.00041	127.0
[M+Na-2H]-	194.98236	134.0
[M]+	174.00714	130.9
[M]-	174.00824	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe