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

18
Patents

225.90617 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.91345 122.7
[M+Na]+ 248.89539 127.0
[M-H]- 224.89889 118.1
[M+NH4]+ 243.93999 140.5
[M+K]+ 264.86933 131.5
[M+H-H2O]+ 208.90343 113.6
[M+HCOO]- 270.90437 137.4
[M+CH3COO]- 284.92002 176.1
[M+Na-2H]- 246.88084 115.3
[M]+ 225.90562 122.5
[M]- 225.90672 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