CID 53789826

4-bromo-1,1-difluorobutane

Structural Information

Molecular Formula
C4H7BrF2
SMILES
C(CC(F)F)CBr
InChI
InChI=1S/C4H7BrF2/c5-3-1-2-4(6)7/h4H,1-3H2
InChIKey
JOEIOCMDYOLTTN-UHFFFAOYSA-N
Compound name
4-bromo-1,1-difluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

171.96992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97720 133.8
[M+Na]+ 194.95914 134.6
[M+NH4]+ 190.00374 137.8
[M+K]+ 210.93308 134.5
[M-H]- 170.96264 130.3
[M+Na-2H]- 192.94459 134.3
[M]+ 171.96937 131.5
[M]- 171.97047 131.5
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