CID 20455377

3-chloro-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C2H2ClN3S
SMILES
C1(=NC(=NS1)Cl)N
InChI
InChI=1S/C2H2ClN3S/c3-1-5-2(4)7-6-1/h(H2,4,5,6)
InChIKey
NNSYXNGGEUCWKL-UHFFFAOYSA-N
Compound name
3-chloro-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

134.96579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.97307 119.8
[M+Na]+ 157.95501 131.3
[M-H]- 133.95851 121.3
[M+NH4]+ 152.99961 141.9
[M+K]+ 173.92895 128.1
[M+H-H2O]+ 117.96305 114.3
[M+HCOO]- 179.96399 135.1
[M+CH3COO]- 193.97964 134.4
[M+Na-2H]- 155.94046 123.6
[M]+ 134.96524 121.2
[M]- 134.96634 121.2
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