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]+ 157.04079 131.5
[M+Na]+ 179.02273 139.8
[M+NH4]+ 174.06733 136.6
[M+K]+ 194.99667 138.3
[M-H]- 155.02623 127.6
[M+Na-2H]- 177.00818 134.1
[M]+ 156.03296 130.9
[M]- 156.03406 130.9
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.