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: 10017
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	127.7
[M+Na]+	196.99691	138.7
[M-H]-	173.00041	124.5
[M+NH4]+	192.04151	143.4
[M+K]+	212.97085	135.0
[M+H-H2O]+	157.00495	120.9
[M+HCOO]-	219.00589	145.7
[M+CH3COO]-	233.02154	170.2
[M+Na-2H]-	194.98236	132.5
[M]+	174.00714	124.6
[M]-	174.00824	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe