CID 82397987

1206984-57-7

Structural Information

Molecular Formula
C6H3BrN2O
SMILES
C1=C2C=NOC2=CN=C1Br
InChI
InChI=1S/C6H3BrN2O/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H
InChIKey
HYLQYJQMNBJCRD-UHFFFAOYSA-N
Compound name
5-bromo-[1,2]oxazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.94289 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95017 127.8
[M+Na]+ 220.93211 143.0
[M-H]- 196.93561 134.1
[M+NH4]+ 215.97671 150.1
[M+K]+ 236.90605 134.0
[M+H-H2O]+ 180.94015 128.1
[M+HCOO]- 242.94109 150.0
[M+CH3COO]- 256.95674 145.1
[M+Na-2H]- 218.91756 140.0
[M]+ 197.94234 149.7
[M]- 197.94344 149.7
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.