CID 67117085

1294001-16-3

Structural Information

Molecular Formula
C7H6F3N3OS
SMILES
COCC1=NN2C=C(N=C2S1)C(F)(F)F
InChI
InChI=1S/C7H6F3N3OS/c1-14-3-5-12-13-2-4(7(8,9)10)11-6(13)15-5/h2H,3H2,1H3
InChIKey
KWGSNTNURWIDRM-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

237.01837 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02565 143.1
[M+Na]+ 260.00759 156.7
[M-H]- 236.01109 141.8
[M+NH4]+ 255.05219 163.0
[M+K]+ 275.98153 154.0
[M+H-H2O]+ 220.01563 134.9
[M+HCOO]- 282.01657 158.0
[M+CH3COO]- 296.03222 187.0
[M+Na-2H]- 257.99304 145.4
[M]+ 237.01782 146.7
[M]- 237.01892 146.7
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

patents stripe