CID 99987

50510-12-8

Structural Information

Molecular Formula
C10H10Cl2N2OS
SMILES
C1C(OC(=N1)N)CSC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2OS/c11-8-2-1-7(3-9(8)12)16-5-6-4-14-10(13)15-6/h1-3,6H,4-5H2,(H2,13,14)
InChIKey
KOKSXPBEMRYMNU-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.98907 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99635 158.0
[M+Na]+ 298.97829 168.5
[M-H]- 274.98179 163.7
[M+NH4]+ 294.02289 175.1
[M+K]+ 314.95223 163.2
[M+H-H2O]+ 258.98633 152.7
[M+HCOO]- 320.98727 166.6
[M+CH3COO]- 335.00292 170.2
[M+Na-2H]- 296.96374 158.1
[M]+ 275.98852 162.0
[M]- 275.98962 162.0
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

No patent data available for this compound.