CID 13330208

4-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC2=C(C1O)C=CC=C2Br
InChI
InChI=1S/C9H9BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChIKey
RNXQQZNOSYBFTN-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

211.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 140.1
[M+Na]+ 234.97289 143.1
[M+NH4]+ 230.01749 146.2
[M+K]+ 250.94683 143.9
[M-H]- 210.97639 140.9
[M+Na-2H]- 232.95834 142.4
[M]+ 211.98312 139.5
[M]- 211.98422 139.5
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

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