CID 63384145

2-ethyl-5-iodo-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H5IN2S
SMILES
CCC1=NN=C(S1)I
InChI
InChI=1S/C4H5IN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKey
VQTJRZZHQZNLKF-UHFFFAOYSA-N
Compound name
2-ethyl-5-iodo-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.92181 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92909 131.5
[M+Na]+ 262.91103 135.9
[M+NH4]+ 257.95563 136.2
[M+K]+ 278.88497 133.1
[M-H]- 238.91453 126.4
[M+Na-2H]- 260.89648 124.6
[M]+ 239.92126 130.0
[M]- 239.92236 130.0
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