CID 43556067

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

Structural Information

Molecular Formula
C8H6BrN3S
SMILES
C1=CC(=CC=C1C2=NSC(=N2)N)Br
InChI
InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKey
NMTGWXGNMOHUOO-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.94658 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95386 136.1
[M+Na]+ 277.93580 150.5
[M-H]- 253.93930 143.8
[M+NH4]+ 272.98040 156.8
[M+K]+ 293.90974 138.0
[M+H-H2O]+ 237.94384 135.6
[M+HCOO]- 299.94478 154.3
[M+CH3COO]- 313.96043 152.0
[M+Na-2H]- 275.92125 141.7
[M]+ 254.94603 155.4
[M]- 254.94713 155.4
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

patents stripe