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

7
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 127.5
[M+Na]+ 262.91103 131.3
[M-H]- 238.91453 122.6
[M+NH4]+ 257.95563 144.7
[M+K]+ 278.88497 135.5
[M+H-H2O]+ 222.91907 118.1
[M+HCOO]- 284.92001 141.8
[M+CH3COO]- 298.93566 178.9
[M+Na-2H]- 260.89648 119.4
[M]+ 239.92126 127.6
[M]- 239.92236 127.6
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

patents stripe