CID 146075385

3-(2-bromoethyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1C(CC1(F)F)CCBr
InChI
InChI=1S/C6H9BrF2/c7-2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKey
PFPULISMDRWGSY-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.992846 126.9
[M+Na]+ 220.974788 138.0
[M-H]- 196.978294 131.2
[M+NH4]+ 216.019393 145.9
[M+K]+ 236.948728 130.4
[M+H-H2O]+ 180.982830 123.4
[M+HCOO]- 242.983771 145.1
[M+CH3COO]- 256.999421 185.3
[M+Na-2H]- 218.960236 134.6
[M]+ 197.98502142 150.0
[M]- 197.98611858 150.0
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.