CID 126970506

3-bromo-1,1-difluorocyclopentane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1CC(CC1Br)(F)F
InChI
InChI=1S/C5H7BrF2/c6-4-1-2-5(7,8)3-4/h4H,1-3H2
InChIKey
YKUBVXZNAYOTDW-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.96992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97720 131.4
[M+Na]+ 206.95914 143.7
[M-H]- 182.96264 135.5
[M+NH4]+ 202.00374 158.4
[M+K]+ 222.93308 133.7
[M+H-H2O]+ 166.96718 132.0
[M+HCOO]- 228.96812 150.7
[M+CH3COO]- 242.98377 177.4
[M+Na-2H]- 204.94459 137.6
[M]+ 183.96937 144.8
[M]- 183.97047 144.8
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.