CID 112706397

1388066-69-0

Structural Information

Molecular Formula
C9H8BrN3S
SMILES
CC1=CC(=CC(=C1)Br)C2=NN=C(S2)N
InChI
InChI=1S/C9H8BrN3S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKey
VOQZBRJBFLZSKW-UHFFFAOYSA-N
Compound name
5-(3-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96222 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96950 143.3
[M+Na]+ 291.95144 147.2
[M+NH4]+ 286.99604 148.6
[M+K]+ 307.92538 147.0
[M-H]- 267.95494 145.5
[M+Na-2H]- 289.93689 147.9
[M]+ 268.96167 143.7
[M]- 268.96277 143.7
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.