CID 137949918

3-(bromomethyl)-7,7-difluorobicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C8H11BrF2
SMILES
C1CC2C(C2(F)F)CC1CBr
InChI
InChI=1S/C8H11BrF2/c9-4-5-1-2-6-7(3-5)8(6,10)11/h5-7H,1-4H2
InChIKey
HCFFARBOGZAFPZ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-7,7-difluorobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.00122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00850 141.8
[M+Na]+ 246.99044 155.3
[M-H]- 222.99394 147.4
[M+NH4]+ 242.03504 162.1
[M+K]+ 262.96438 144.3
[M+H-H2O]+ 206.99848 141.3
[M+HCOO]- 268.99942 157.9
[M+CH3COO]- 283.01507 190.1
[M+Na-2H]- 244.97589 148.7
[M]+ 224.00067 157.7
[M]- 224.00177 157.7
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.