CID 82158932

3-amino-6-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(C2=C(C1O)C=C(C=C2)Br)N
InChI
InChI=1S/C9H10BrNO/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,8-9,12H,4,11H2
InChIKey
GAXYMVNYFVDZLO-UHFFFAOYSA-N
Compound name
3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.99458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 144.1
[M+Na]+ 249.98380 156.2
[M-H]- 225.98730 150.0
[M+NH4]+ 245.02840 167.8
[M+K]+ 265.95774 144.2
[M+H-H2O]+ 209.99184 144.7
[M+HCOO]- 271.99278 164.3
[M+CH3COO]- 286.00843 186.4
[M+Na-2H]- 247.96925 149.4
[M]+ 226.99403 159.7
[M]- 226.99513 159.7
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

patents stripe