CID 477324

3-(2-bromoethoxy)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole

Structural Information

Molecular Formula
C10H7BrCl2N2OS
SMILES
C1=CC(=C(C(=C1)Cl)C2=NSN=C2OCCBr)Cl
InChI
InChI=1S/C10H7BrCl2N2OS/c11-4-5-16-10-9(14-17-15-10)8-6(12)2-1-3-7(8)13/h1-3H,4-5H2
InChIKey
WKWZOXVZJFNMHM-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.88394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.89122 153.5
[M+Na]+ 374.87316 169.6
[M-H]- 350.87666 161.0
[M+NH4]+ 369.91776 172.5
[M+K]+ 390.84710 155.4
[M+H-H2O]+ 334.88120 154.1
[M+HCOO]- 396.88214 161.5
[M+CH3COO]- 410.89779 168.4
[M+Na-2H]- 372.85861 157.0
[M]+ 351.88339 178.6
[M]- 351.88449 178.6
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

patents stripe