CID 139022797

3-bromo-7,7-difluorobicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C7H9BrF2
SMILES
C1CC2C(C2(F)F)CC1Br
InChI
InChI=1S/C7H9BrF2/c8-4-1-2-5-6(3-4)7(5,9)10/h4-6H,1-3H2
InChIKey
LMRQNCUODQYVSN-UHFFFAOYSA-N
Compound name
3-bromo-7,7-difluorobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99285 137.5
[M+Na]+ 232.97479 151.4
[M-H]- 208.97829 143.3
[M+NH4]+ 228.01939 158.4
[M+K]+ 248.94873 140.6
[M+H-H2O]+ 192.98283 137.2
[M+HCOO]- 254.98377 153.9
[M+CH3COO]- 268.99942 187.4
[M+Na-2H]- 230.96024 144.9
[M]+ 209.98502 153.1
[M]- 209.98612 153.1
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.