CID 87385460

1,1-difluoro-4-iodobutane

Structural Information

Molecular Formula
C4H7F2I
SMILES
C(CC(F)F)CI
InChI
InChI=1S/C4H7F2I/c5-4(6)2-1-3-7/h4H,1-3H2
InChIKey
UNMJGUPXEGKFHT-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

219.95605 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96333 126.9
[M+Na]+ 242.94527 127.5
[M-H]- 218.94877 118.2
[M+NH4]+ 237.98987 144.6
[M+K]+ 258.91921 133.0
[M+H-H2O]+ 202.95331 117.6
[M+HCOO]- 264.95425 143.1
[M+CH3COO]- 278.96990 179.7
[M+Na-2H]- 240.93072 120.2
[M]+ 219.95550 122.2
[M]- 219.95660 122.2
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