CID 33562

Bicycloheptane, dibromo-

Structural Information

Molecular Formula

C₇H₁₀Br₂

SMILES

C1CC2CCC1C2(Br)Br

InChI

InChI=1S/C7H10Br2/c8-7(9)5-1-2-6(7)4-3-5/h5-6H,1-4H2

InChIKey

WQLOPWOVROOXQQ-UHFFFAOYSA-N

Compound name

7,7-dibromobicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.91493 Da
Monoisotopic Mass: 3.2
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]+	252.92221	145.6
[M+Na]+	274.90415	157.4
[M-H]-	250.90765	152.2
[M+NH4]+	269.94875	171.8
[M+K]+	290.87809	143.1
[M+H-H2O]+	234.91219	155.7
[M+HCOO]-	296.91313	160.6
[M+CH3COO]-	310.92878	160.3
[M+Na-2H]-	272.88960	151.6
[M]+	251.91438	177.6
[M]-	251.91548	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe