CID 9754

1-fluoro-4-iodobutane

Structural Information

Molecular Formula
C4H8FI
SMILES
C(CCI)CF
InChI
InChI=1S/C4H8FI/c5-3-1-2-4-6/h1-4H2
InChIKey
RGFVICVNWNMBQG-UHFFFAOYSA-N
Compound name
1-fluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

201.96548 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97276 125.0
[M+Na]+ 224.95470 125.8
[M-H]- 200.95820 117.6
[M+NH4]+ 219.99930 143.6
[M+K]+ 240.92864 131.3
[M+H-H2O]+ 184.96274 116.6
[M+HCOO]- 246.96368 143.1
[M+CH3COO]- 260.97933 176.4
[M+Na-2H]- 222.94015 120.0
[M]+ 201.96493 122.1
[M]- 201.96603 122.1
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