CID 25248709

Lithium(1+) 4-(difluoromethyl)-1,2,3-thiadiazole-5-carboxylate

Structural Information

Molecular Formula
C4H2F2N2O2S
SMILES
C1(=C(SN=N1)C(=O)O)C(F)F
InChI
InChI=1S/C4H2F2N2O2S/c5-3(6)1-2(4(9)10)11-8-7-1/h3H,(H,9,10)
InChIKey
IYMIKDOJHKABJI-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)thiadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9805 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98778 128.3
[M+Na]+ 202.96972 138.3
[M-H]- 178.97322 126.3
[M+NH4]+ 198.01432 147.3
[M+K]+ 218.94366 136.4
[M+H-H2O]+ 162.97776 120.7
[M+HCOO]- 224.97870 142.5
[M+CH3COO]- 238.99435 174.4
[M+Na-2H]- 200.95517 128.7
[M]+ 179.97995 127.7
[M]- 179.98105 127.7
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.