CID 155858985

1-(bromomethyl)-3-cyclobutylidenecyclobutane

Structural Information

Molecular Formula
C9H13Br
SMILES
C1CC(=C2CC(C2)CBr)C1
InChI
InChI=1S/C9H13Br/c10-6-7-4-9(5-7)8-2-1-3-8/h7H,1-6H2
InChIKey
RBRSWXLHOXNIQU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclobutylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02007 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02735 116.2
[M+Na]+ 223.00929 123.8
[M-H]- 199.01279 124.4
[M+NH4]+ 218.05389 126.5
[M+K]+ 238.98323 119.6
[M+H-H2O]+ 183.01733 108.8
[M+HCOO]- 245.01827 133.4
[M+CH3COO]- 259.03392 194.6
[M+Na-2H]- 220.99474 123.2
[M]+ 200.01952 144.8
[M]- 200.02062 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.