CID 554215

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

Structural Information

Molecular Formula
C8H6BrN3S
SMILES
C1=CC(=CC=C1C2=NN=C(S2)N)Br
InChI
InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
KNFZBJVESBZZMI-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

69
Patents

254.94658 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95386 138.7
[M+Na]+ 277.93580 142.5
[M+NH4]+ 272.98040 144.1
[M+K]+ 293.90974 142.3
[M-H]- 253.93930 140.9
[M+Na-2H]- 275.92125 143.8
[M]+ 254.94603 139.0
[M]- 254.94713 139.0
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