CID 9588956

(e)-2-(1-(2,5-dibromo-3-thienyl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C7H7Br2N3S2
SMILES
C/C(=N\NC(=S)N)/C1=C(SC(=C1)Br)Br
InChI
InChI=1S/C7H7Br2N3S2/c1-3(11-12-7(10)13)4-2-5(8)14-6(4)9/h2H,1H3,(H3,10,12,13)/b11-3+
InChIKey
ASJXNQATUVVTKW-QDEBKDIKSA-N
Compound name
[(E)-1-(2,5-dibromothiophen-3-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.84482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.85210 133.8
[M+Na]+ 377.83404 145.3
[M-H]- 353.83754 141.1
[M+NH4]+ 372.87864 152.7
[M+K]+ 393.80798 126.3
[M+H-H2O]+ 337.84208 139.0
[M+HCOO]- 399.84302 144.2
[M+CH3COO]- 413.85867 214.8
[M+Na-2H]- 375.81949 137.1
[M]+ 354.84427 166.2
[M]- 354.84537 166.2
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.