CID 72218495

3-(bromomethyl)-6,6-difluorobicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C7H9BrF2
SMILES
C1C(CC2C1C2(F)F)CBr
InChI
InChI=1S/C7H9BrF2/c8-3-4-1-5-6(2-4)7(5,9)10/h4-6H,1-3H2
InChIKey
HVJUHLMGAMROFL-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-6,6-difluorobicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.98557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99285 138.0
[M+Na]+ 232.97479 153.0
[M-H]- 208.97829 144.0
[M+NH4]+ 228.01939 160.5
[M+K]+ 248.94873 141.7
[M+H-H2O]+ 192.98283 138.1
[M+HCOO]- 254.98377 156.2
[M+CH3COO]- 268.99942 187.3
[M+Na-2H]- 230.96024 144.3
[M]+ 209.98502 155.4
[M]- 209.98612 155.4
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