CID 71711010

2-bromo-4h,6h,7h-pyrano[4,3-d][1,3]thiazole

Structural Information

Molecular Formula
C6H6BrNOS
SMILES
C1COCC2=C1N=C(S2)Br
InChI
InChI=1S/C6H6BrNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2
InChIKey
WRFXNDSVRFCYJZ-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.93535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.94263 129.8
[M+Na]+ 241.92457 143.2
[M-H]- 217.92807 136.9
[M+NH4]+ 236.96917 153.3
[M+K]+ 257.89851 134.1
[M+H-H2O]+ 201.93261 131.5
[M+HCOO]- 263.93355 144.8
[M+CH3COO]- 277.94920 146.2
[M+Na-2H]- 239.91002 136.9
[M]+ 218.93480 149.6
[M]- 218.93590 149.6
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