CID 15031707

5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H6ClN3S
SMILES
C(CCl)C1=NN=C(S1)N
InChI
InChI=1S/C4H6ClN3S/c5-2-1-3-7-8-4(6)9-3/h1-2H2,(H2,6,8)
InChIKey
XGIWQRDVHNRICP-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

162.9971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00438 128.6
[M+Na]+ 185.98632 139.2
[M-H]- 161.98982 129.8
[M+NH4]+ 181.03092 149.6
[M+K]+ 201.96026 135.6
[M+H-H2O]+ 145.99436 122.7
[M+HCOO]- 207.99530 143.3
[M+CH3COO]- 222.01095 174.7
[M+Na-2H]- 183.97177 131.4
[M]+ 162.99655 130.8
[M]- 162.99765 130.8
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