CID 117870300

1-(bromomethyl)-1-(difluoromethyl)cyclopropane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1CC1(CBr)C(F)F
InChI
InChI=1S/C5H7BrF2/c6-3-5(1-2-5)4(7)8/h4H,1-3H2
InChIKey
XCDSWMUPTXJTEY-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(difluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 128.9
[M+Na]+ 206.959138 142.3
[M-H]- 182.962644 134.1
[M+NH4]+ 202.003743 149.4
[M+K]+ 222.933078 132.4
[M+H-H2O]+ 166.967180 128.5
[M+HCOO]- 228.968121 147.9
[M+CH3COO]- 242.983771 182.8
[M+Na-2H]- 204.944586 136.8
[M]+ 183.96937142 146.2
[M]- 183.97046858 146.2
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

patents stripe