CID 7141580

299937-28-3

Structural Information

Molecular Formula
C9H8ClN3OS
SMILES
COC1=C(C=C(C=C1)Cl)C2=NN=C(S2)N
InChI
InChI=1S/C9H8ClN3OS/c1-14-7-3-2-5(10)4-6(7)8-12-13-9(11)15-8/h2-4H,1H3,(H2,11,13)
InChIKey
YSDRZPMZEDZVJN-UHFFFAOYSA-N
Compound name
5-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.00766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01494 148.1
[M+Na]+ 263.99688 159.9
[M-H]- 240.00038 153.1
[M+NH4]+ 259.04148 166.3
[M+K]+ 279.97082 154.7
[M+H-H2O]+ 224.00492 141.5
[M+HCOO]- 286.00586 163.2
[M+CH3COO]- 300.02151 161.5
[M+Na-2H]- 261.98233 149.8
[M]+ 241.00711 152.3
[M]- 241.00821 152.3
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

No patent data available for this compound.