CID 2434830

554439-46-2

Structural Information

Molecular Formula
C14H11FN2O2S
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN2O2S/c1-8-11-6-12(14(18)19)20-13(11)17(16-8)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,18,19)
InChIKey
XZHXFMZSEHQSBD-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05980 162.4
[M+Na]+ 313.04174 175.0
[M-H]- 289.04524 167.2
[M+NH4]+ 308.08634 180.8
[M+K]+ 329.01568 169.9
[M+H-H2O]+ 273.04978 155.7
[M+HCOO]- 335.05072 179.4
[M+CH3COO]- 349.06637 175.3
[M+Na-2H]- 311.02719 161.3
[M]+ 290.05197 167.6
[M]- 290.05307 167.6
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.