CID 177798607

1-(bromomethyl)-3,3-difluoro-1-(methoxymethyl)cyclopentane

Structural Information

Molecular Formula
C8H13BrF2O
SMILES
COCC1(CCC(C1)(F)F)CBr
InChI
InChI=1S/C8H13BrF2O/c1-12-6-7(5-9)2-3-8(10,11)4-7/h2-6H2,1H3
InChIKey
UEDJOJRCMZONPX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluoro-1-(methoxymethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01178 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.019056 144.9
[M+Na]+ 265.000998 156.9
[M-H]- 241.004504 148.9
[M+NH4]+ 260.045603 171.6
[M+K]+ 280.974938 146.6
[M+H-H2O]+ 225.009040 145.9
[M+HCOO]- 287.009981 163.5
[M+CH3COO]- 301.025631 187.4
[M+Na-2H]- 262.986446 150.9
[M]+ 242.01123142 161.2
[M]- 242.01232858 161.2
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.