CID 6340245

(z)-2-(1-(5-bromo-2-thienyl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C7H8BrN3S2
SMILES
C/C(=N/NC(=S)N)/C1=CC=C(S1)Br
InChI
InChI=1S/C7H8BrN3S2/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4-
InChIKey
XBLYFFCQPGMTDA-WMZJFQQLSA-N
Compound name
[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

276.9343 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.94158 134.0
[M+Na]+ 299.92352 132.6
[M+NH4]+ 294.96812 138.8
[M+K]+ 315.89746 133.1
[M-H]- 275.92702 135.2
[M+Na-2H]- 297.90897 136.0
[M]+ 276.93375 133.4
[M]- 276.93485 133.4
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

No patent data available for this compound.