CID 58623083

3,3-difluoro-1-iodobutane

Structural Information

Molecular Formula
C4H7F2I
SMILES
CC(CCI)(F)F
InChI
InChI=1S/C4H7F2I/c1-4(5,6)2-3-7/h2-3H2,1H3
InChIKey
NHZVZGZKSCSFDB-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.95605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96333 129.7
[M+Na]+ 242.94527 131.9
[M+NH4]+ 237.98987 132.9
[M+K]+ 258.91921 129.8
[M-H]- 218.94877 120.9
[M+Na-2H]- 240.93072 121.5
[M]+ 219.95550 126.3
[M]- 219.95660 126.3
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