CID 155973442

2-bromo-6,6-difluorobicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C6H7BrF2
SMILES
C1CC(C2C1C2(F)F)Br
InChI
InChI=1S/C6H7BrF2/c7-4-2-1-3-5(4)6(3,8)9/h3-5H,1-2H2
InChIKey
ICGDNLABKIGYHW-UHFFFAOYSA-N
Compound name
2-bromo-6,6-difluorobicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.96992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97720 133.7
[M+Na]+ 218.95914 149.0
[M-H]- 194.96264 139.8
[M+NH4]+ 214.00374 156.7
[M+K]+ 234.93308 137.9
[M+H-H2O]+ 178.96718 133.9
[M+HCOO]- 240.96812 152.1
[M+CH3COO]- 254.98377 184.6
[M+Na-2H]- 216.94459 140.5
[M]+ 195.96937 150.7
[M]- 195.97047 150.7
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.