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]+ 219.942626 129.8
[M+Na]+ 241.924568 143.2
[M-H]- 217.928074 136.9
[M+NH4]+ 236.969173 153.3
[M+K]+ 257.898508 134.1
[M+H-H2O]+ 201.932610 131.5
[M+HCOO]- 263.933551 144.8
[M+CH3COO]- 277.949201 146.2
[M+Na-2H]- 239.910016 136.9
[M]+ 218.93480142 149.6
[M]- 218.93589858 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