CID 10488009

(2e)-2-fluoro-3-(1h-imidazol-5-yl)prop-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
C1=C(NC=N1)/C=C(\C(=O)O)/F
InChI
InChI=1S/C6H5FN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h1-3H,(H,8,9)(H,10,11)/b5-1+
InChIKey
HVHBPCATYMSEEE-ORCRQEGFSA-N
Compound name
(E)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03351 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.040786 129.4
[M+Na]+ 179.022728 137.1
[M-H]- 155.026234 126.4
[M+NH4]+ 174.067333 147.6
[M+K]+ 194.996668 134.6
[M+H-H2O]+ 139.030770 122.0
[M+HCOO]- 201.031711 147.8
[M+CH3COO]- 215.047361 168.5
[M+Na-2H]- 177.008176 132.7
[M]+ 156.03296142 125.0
[M]- 156.03405858 125.0
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.