CID 18182172

2-iodo-1,3,4-thiadiazole

Structural Information

Molecular Formula
C2HIN2S
SMILES
C1=NN=C(S1)I
InChI
InChI=1S/C2HIN2S/c3-2-5-4-1-6-2/h1H
InChIKey
VPSGDHZFVJANQC-UHFFFAOYSA-N
Compound name
2-iodo-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

211.89052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.89780 119.0
[M+Na]+ 234.87974 122.8
[M-H]- 210.88324 114.1
[M+NH4]+ 229.92434 137.0
[M+K]+ 250.85368 127.6
[M+H-H2O]+ 194.88778 109.7
[M+HCOO]- 256.88872 133.9
[M+CH3COO]- 270.90437 172.3
[M+Na-2H]- 232.86519 112.6
[M]+ 211.88997 118.1
[M]- 211.89107 118.1
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