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 129.4
[M+Na]+ 179.02273 137.1
[M-H]- 155.02623 126.4
[M+NH4]+ 174.06733 147.6
[M+K]+ 194.99667 134.6
[M+H-H2O]+ 139.03077 122.0
[M+HCOO]- 201.03171 147.8
[M+CH3COO]- 215.04736 168.5
[M+Na-2H]- 177.00818 132.7
[M]+ 156.03296 125.0
[M]- 156.03406 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.