CID 3032999

42134-91-8

Structural Information

Molecular Formula
C14H9Br2N3S
SMILES
C1=CC2=C(C=C1Br)C(=NNC(=S)N)C3=C2C=CC(=C3)Br
InChI
InChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20)
InChIKey
UEANXDHFIYOFTD-UHFFFAOYSA-N
Compound name
[(2,7-dibromofluoren-9-ylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.8884 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.89568 158.1
[M+Na]+ 431.87762 169.4
[M-H]- 407.88112 166.9
[M+NH4]+ 426.92222 177.0
[M+K]+ 447.85156 151.9
[M+H-H2O]+ 391.88566 164.6
[M+HCOO]- 453.88660 171.9
[M+CH3COO]- 467.90225 171.2
[M+Na-2H]- 429.86307 163.4
[M]+ 408.88785 192.0
[M]- 408.88895 192.0
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.