CID 72213138

2-(2-bromoethyl)-1,1-difluorocyclopropane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1C(C1(F)F)CCBr
InChI
InChI=1S/C5H7BrF2/c6-2-1-4-3-5(4,7)8/h4H,1-3H2
InChIKey
GPGGLHYJEHBQQJ-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,1-difluorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

183.96992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.977196 127.8
[M+Na]+ 206.959138 142.2
[M-H]- 182.962644 133.3
[M+NH4]+ 202.003743 148.7
[M+K]+ 222.933078 131.9
[M+H-H2O]+ 166.967180 127.5
[M+HCOO]- 228.968121 147.7
[M+CH3COO]- 242.983771 183.1
[M+Na-2H]- 204.944586 136.2
[M]+ 183.96937142 146.0
[M]- 183.97046858 146.0
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

patents stripe