CID 219408

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

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)N
InChI
InChI=1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKey
UHZHEOAEJRHUBW-UHFFFAOYSA-N
Compound name
5-phenyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

764
Patents

177.03607 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 133.8
[M+Na]+ 200.02529 146.8
[M+NH4]+ 195.06989 143.2
[M+K]+ 215.99923 140.1
[M-H]- 176.02879 137.8
[M+Na-2H]- 198.01074 142.4
[M]+ 177.03552 137.2
[M]- 177.03662 137.2
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