CID 78110

Bromocyclobutane

Structural Information

Molecular Formula

SMILES

C1CC(C1)Br

InChI

InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2

InChIKey

KXVUSQIDCZRUKF-UHFFFAOYSA-N

Compound name

bromocyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4938
Patents: 133.97311 Da
Monoisotopic Mass: 1.9
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]+	134.980386	109.7
[M+Na]+	156.962328	120.0
[M-H]-	132.965834	116.2
[M+NH4]+	152.006933	129.1
[M+K]+	172.936268	113.9
[M+H-H2O]+	116.970370	107.0
[M+HCOO]-	178.971311	130.5
[M+CH3COO]-	192.986961	174.4
[M+Na-2H]-	154.947776	119.7
[M]+	133.97256142	133.8
[M]-	133.97365858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe