CID 3652630

1,3-bis(4-bromophenyl)-2-thiourea

Structural Information

Molecular Formula
C13H10Br2N2S
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C13H10Br2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
RQVXFYAPGIMASB-UHFFFAOYSA-N
Compound name
1,3-bis(4-bromophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

383.89313 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.90041 148.5
[M+Na]+ 406.88235 158.1
[M-H]- 382.88585 157.4
[M+NH4]+ 401.92695 164.8
[M+K]+ 422.85629 140.3
[M+H-H2O]+ 366.89039 154.9
[M+HCOO]- 428.89133 162.0
[M+CH3COO]- 442.90698 161.5
[M+Na-2H]- 404.86780 154.5
[M]+ 383.89258 181.4
[M]- 383.89368 181.4
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

patents stripe