CID 155970805

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

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
CN1C=C(C=N1)/C(=C/C(=O)O)/F
InChI
InChI=1S/C7H7FN2O2/c1-10-4-5(3-9-10)6(8)2-7(11)12/h2-4H,1H3,(H,11,12)/b6-2-
InChIKey
SQOCAUWEMDNEGU-KXFIGUGUSA-N
Compound name
(Z)-3-fluoro-3-(1-methylpyrazol-4-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]+ 171.056426 132.6
[M+Na]+ 193.038368 141.4
[M-H]- 169.041874 131.3
[M+NH4]+ 188.082973 151.4
[M+K]+ 209.012308 139.5
[M+H-H2O]+ 153.046410 125.2
[M+HCOO]- 215.047351 152.3
[M+CH3COO]- 229.063001 175.2
[M+Na-2H]- 191.023816 135.3
[M]+ 170.04860142 131.0
[M]- 170.04969858 131.0
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.