CID 95444

2-bromo-1-indanol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(C(C2=CC=CC=C21)O)Br
InChI
InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
InChIKey
RTESDSDXFLYAKZ-UHFFFAOYSA-N
Compound name
2-bromo-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

354
Patents

211.98367 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe