CID 132371409

(1,3-dibromopropan-2-yl)cyclobutane

Structural Information

Molecular Formula

C₇H₁₂Br₂

SMILES

C1CC(C1)C(CBr)CBr

InChI

InChI=1S/C7H12Br2/c8-4-7(5-9)6-2-1-3-6/h6-7H,1-5H2

InChIKey

WXPGJVSEWLAHMJ-UHFFFAOYSA-N

Compound name

1,3-dibromopropan-2-ylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.93057 Da
Monoisotopic Mass: 3.7
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]+	254.93785	126.6
[M+Na]+	276.91979	135.1
[M-H]-	252.92329	132.9
[M+NH4]+	271.96439	142.2
[M+K]+	292.89373	123.0
[M+H-H2O]+	236.92783	131.2
[M+HCOO]-	298.92877	140.8
[M+CH3COO]-	312.94442	200.9
[M+Na-2H]-	274.90524	133.6
[M]+	253.93002	164.5
[M]-	253.93112	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.