CID 3019405

(1,4-dibromobutyl)cyclopropane

Structural Information

Molecular Formula

C₇H₁₂Br₂

SMILES

C1CC1C(CCCBr)Br

InChI

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

InChIKey

VHXVANJGTFQCCP-UHFFFAOYSA-N

Compound name

1,4-dibromobutylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.93057 Da
Monoisotopic Mass: 3.3
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]+	254.937846	141.4
[M+Na]+	276.919788	153.1
[M-H]-	252.923294	148.8
[M+NH4]+	271.964393	158.4
[M+K]+	292.893728	137.5
[M+H-H2O]+	236.927830	148.5
[M+HCOO]-	298.928771	157.0
[M+CH3COO]-	312.944421	201.2
[M+Na-2H]-	274.905236	147.8
[M]+	253.93002142	175.2
[M]-	253.93111858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.