CID 22278831

4-bromo-2,3-dihydro-1h-inden-5-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC2=C(C1)C(=C(C=C2)O)Br
InChI
InChI=1S/C9H9BrO/c10-9-7-3-1-2-6(7)4-5-8(9)11/h4-5,11H,1-3H2
InChIKey
NMWFAWHBBFZSNR-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.98367 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 140.5
[M+Na]+ 234.972888 152.8
[M-H]- 210.976394 146.8
[M+NH4]+ 230.017493 165.3
[M+K]+ 250.946828 141.6
[M+H-H2O]+ 194.980930 141.9
[M+HCOO]- 256.981871 160.6
[M+CH3COO]- 270.997521 181.4
[M+Na-2H]- 232.958336 147.2
[M]+ 211.98312142 157.5
[M]- 211.98421858 157.5
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

patents stripe