CID 146049890

1-(bromomethyl)-1-(1,1-difluoroethyl)cyclobutane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
CC(C1(CCC1)CBr)(F)F
InChI
InChI=1S/C7H11BrF2/c1-6(9,10)7(5-8)3-2-4-7/h2-5H2,1H3
InChIKey
IUEQDWMXGHNEKA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(1,1-difluoroethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.00122 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 133.9
[M+Na]+ 234.99044 144.1
[M-H]- 210.99394 137.9
[M+NH4]+ 230.03504 152.1
[M+K]+ 250.96438 136.7
[M+H-H2O]+ 194.99848 130.5
[M+HCOO]- 256.99942 150.3
[M+CH3COO]- 271.01507 187.4
[M+Na-2H]- 232.97589 142.0
[M]+ 212.00067 156.5
[M]- 212.00177 156.5
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.