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]+ 171.05643 132.6
[M+Na]+ 193.03837 141.4
[M-H]- 169.04187 131.3
[M+NH4]+ 188.08297 151.4
[M+K]+ 209.01231 139.5
[M+H-H2O]+ 153.04641 125.2
[M+HCOO]- 215.04735 152.3
[M+CH3COO]- 229.06300 175.2
[M+Na-2H]- 191.02382 135.3
[M]+ 170.04860 131.0
[M]- 170.04970 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.