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]+ 243.01906 144.9
[M+Na]+ 265.00100 156.9
[M-H]- 241.00450 148.9
[M+NH4]+ 260.04560 171.6
[M+K]+ 280.97494 146.6
[M+H-H2O]+ 225.00904 145.9
[M+HCOO]- 287.00998 163.5
[M+CH3COO]- 301.02563 187.4
[M+Na-2H]- 262.98645 150.9
[M]+ 242.01123 161.2
[M]- 242.01233 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.