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]+ 240.929086 127.5
[M+Na]+ 262.911028 131.3
[M-H]- 238.914534 122.6
[M+NH4]+ 257.955633 144.7
[M+K]+ 278.884968 135.5
[M+H-H2O]+ 222.919070 118.1
[M+HCOO]- 284.920011 141.8
[M+CH3COO]- 298.935661 178.9
[M+Na-2H]- 260.896476 119.4
[M]+ 239.92126142 127.6
[M]- 239.92235858 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