CID 62892068

3-(difluoromethyl)-1-methyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H6F2N2O2S
SMILES
CN1C2=C(C=C(S2)C(=O)O)C(=N1)C(F)F
InChI
InChI=1S/C8H6F2N2O2S/c1-12-7-3(5(11-12)6(9)10)2-4(15-7)8(13)14/h2,6H,1H3,(H,13,14)
InChIKey
CMJKZRUOCIQZHG-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-methylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01181 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01909 147.9
[M+Na]+ 255.00103 156.5
[M+NH4]+ 250.04563 153.7
[M+K]+ 270.97497 154.5
[M-H]- 231.00453 144.2
[M+Na-2H]- 252.98648 149.0
[M]+ 232.01126 148.1
[M]- 232.01236 148.1
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.