CID 1286604

3,5-dibromosalicylaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C8H7Br2N3OS
SMILES
C1=C(C=C(C(=C1C=NNC(=S)N)O)Br)Br
InChI
InChI=1S/C8H7Br2N3OS/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)
InChIKey
KOUSSFCOFUJIJA-UHFFFAOYSA-N
Compound name
[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.86765 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.87493 138.7
[M+Na]+ 373.85687 148.7
[M-H]- 349.86037 144.8
[M+NH4]+ 368.90147 155.4
[M+K]+ 389.83081 129.9
[M+H-H2O]+ 333.86491 143.5
[M+HCOO]- 395.86585 152.2
[M+CH3COO]- 409.88150 213.8
[M+Na-2H]- 371.84232 143.4
[M]+ 350.86710 170.7
[M]- 350.86820 170.7
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

patents stripe