CID 167739836

(2z)-2-fluoro-3-(2-methyl-2h-1,2,3-triazol-4-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C6H6FN3O2
SMILES
CN1N=CC(=N1)/C=C(/C(=O)O)\F
InChI
InChI=1S/C6H6FN3O2/c1-10-8-3-4(9-10)2-5(7)6(11)12/h2-3H,1H3,(H,11,12)/b5-2-
InChIKey
ADAYVOIXLDMXLV-DJWKRKHSSA-N
Compound name
(Z)-2-fluoro-3-(2-methyltriazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0444 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05168 132.3
[M+Na]+ 194.03362 141.5
[M-H]- 170.03712 129.8
[M+NH4]+ 189.07822 149.7
[M+K]+ 210.00756 139.7
[M+H-H2O]+ 154.04166 124.2
[M+HCOO]- 216.04260 151.0
[M+CH3COO]- 230.05825 175.1
[M+Na-2H]- 192.01907 135.4
[M]+ 171.04385 130.9
[M]- 171.04495 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.