CID 105484317

Schembl23210976

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C1CC2=C(C1CO)C=CC=C2Br

InChI

InChI=1S/C10H11BrO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,7,12H,4-6H2

InChIKey

JRDNBADOSXXGJR-UHFFFAOYSA-N

Compound name

(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 225.99933 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.00661	145.2
[M+Na]+	248.98855	157.1
[M-H]-	224.99205	151.3
[M+NH4]+	244.03315	169.4
[M+K]+	264.96249	145.6
[M+H-H2O]+	208.99659	146.4
[M+HCOO]-	270.99753	165.0
[M+CH3COO]-	285.01318	184.2
[M+Na-2H]-	246.97400	151.4
[M]+	225.99878	162.5
[M]-	225.99988	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe