CID 165913975

(2z)-3-fluoro-3-(1-methyl-1h-pyrazol-5-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
CN1C(=CC=N1)/C(=C/C(=O)O)/F
InChI
InChI=1S/C7H7FN2O2/c1-10-6(2-3-9-10)5(8)4-7(11)12/h2-4H,1H3,(H,11,12)/b5-4-
InChIKey
UJEHNZHGALUYGE-PLNGDYQASA-N
Compound name
(Z)-3-fluoro-3-(2-methylpyrazol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04915 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 135.6
[M+Na]+ 193.03837 144.6
[M+NH4]+ 188.08297 140.9
[M+K]+ 209.01231 142.8
[M-H]- 169.04187 132.3
[M+Na-2H]- 191.02382 138.3
[M]+ 170.04860 135.3
[M]- 170.04970 135.3
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.