CID 314235

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

Structural Information

Molecular Formula
C2H2ClN3S
SMILES
C1(=NN=C(S1)Cl)N
InChI
InChI=1S/C2H2ClN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
InChIKey
OPGJORQBYBKWNH-UHFFFAOYSA-N
Compound name
5-chloro-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

134.96579 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe