CID 12657265

6-bromobenzo[d]oxazole-2(3h)-thione

Structural Information

Molecular Formula
C7H4BrNOS
SMILES
C1=CC2=C(C=C1Br)OC(=S)N2
InChI
InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)
InChIKey
LKVJXYIGFOTPGN-UHFFFAOYSA-N
Compound name
6-bromo-3H-1,3-benzoxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

228.9197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.92698 129.0
[M+Na]+ 251.90892 133.9
[M+NH4]+ 246.95352 134.9
[M+K]+ 267.88286 133.9
[M-H]- 227.91242 130.7
[M+Na-2H]- 249.89437 132.4
[M]+ 228.91915 129.5
[M]- 228.92025 129.5
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