CID 66553611

1394957-71-1

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
C1[C@H]2[C@@H](C3=C1C=CC(=C3)Br)N(C(=O)CO2)O
InChI
InChI=1S/C11H10BrNO3/c12-7-2-1-6-3-9-11(8(6)4-7)13(15)10(14)5-16-9/h1-2,4,9,11,15H,3,5H2/t9-,11+/m0/s1
InChIKey
FQXSUQCCAHKURK-GXSJLCMTSA-N
Compound name
(4aR,9aS)-6-bromo-4-hydroxy-9,9a-dihydro-4aH-indeno[2,1-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.9844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 155.5
[M+Na]+ 305.97362 167.8
[M-H]- 281.97712 161.8
[M+NH4]+ 301.01822 176.0
[M+K]+ 321.94756 157.6
[M+H-H2O]+ 265.98166 156.1
[M+HCOO]- 327.98260 170.4
[M+CH3COO]- 341.99825 169.6
[M+Na-2H]- 303.95907 161.3
[M]+ 282.98385 173.2
[M]- 282.98495 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe