CID 5097505

54808-00-3

Structural Information

Molecular Formula

C₁₁H₁₆Br₂

SMILES

C1C2CC3CC1CC(C2)(C3)C(Br)Br

InChI

InChI=1S/C11H16Br2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2

InChIKey

FIMUBZRKVRSPQG-UHFFFAOYSA-N

Compound name

1-(dibromomethyl)adamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.96188 Da
Monoisotopic Mass: 4.8
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]+	306.96916	150.8
[M+Na]+	328.95110	156.1
[M-H]-	304.95460	151.1
[M+NH4]+	323.99570	174.5
[M+K]+	344.92504	143.2
[M+H-H2O]+	288.95914	159.5
[M+HCOO]-	350.96008	154.0
[M+CH3COO]-	364.97573	161.1
[M+Na-2H]-	326.93655	160.3
[M]+	305.96133	181.9
[M]-	305.96243	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe