CID 63384143

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

Structural Information

Molecular Formula
C3H3IN2S
SMILES
CC1=NN=C(S1)I
InChI
InChI=1S/C3H3IN2S/c1-2-5-6-3(4)7-2/h1H3
InChIKey
KSFINKNHAUQFRT-UHFFFAOYSA-N
Compound name
2-iodo-5-methyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

225.90617 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.913446 122.7
[M+Na]+ 248.895388 127.0
[M-H]- 224.898894 118.1
[M+NH4]+ 243.939993 140.5
[M+K]+ 264.869328 131.5
[M+H-H2O]+ 208.903430 113.6
[M+HCOO]- 270.904371 137.4
[M+CH3COO]- 284.920021 176.1
[M+Na-2H]- 246.880836 115.3
[M]+ 225.90562142 122.5
[M]- 225.90671858 122.5
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