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 138.8
[M+Na]+ 299.92352 150.0
[M-H]- 275.92702 145.7
[M+NH4]+ 294.96812 160.4
[M+K]+ 315.89746 136.2
[M+H-H2O]+ 259.93156 136.9
[M+HCOO]- 321.93250 153.1
[M+CH3COO]- 335.94815 199.5
[M+Na-2H]- 297.90897 141.0
[M]+ 276.93375 156.0
[M]- 276.93485 156.0
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.