CID 12899128

1-fluoro-3-iodopropane

Structural Information

Molecular Formula
C3H6FI
SMILES
C(CF)CI
InChI
InChI=1S/C3H6FI/c4-2-1-3-5/h1-3H2
InChIKey
URBUZQPPQLQHBZ-UHFFFAOYSA-N
Compound name
1-fluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1110
Patents

187.94983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95711 120.1
[M+Na]+ 210.93905 121.3
[M-H]- 186.94255 112.8
[M+NH4]+ 205.98365 139.1
[M+K]+ 226.91299 127.1
[M+H-H2O]+ 170.94709 111.9
[M+HCOO]- 232.94803 138.5
[M+CH3COO]- 246.96368 173.5
[M+Na-2H]- 208.92450 115.6
[M]+ 187.94928 116.8
[M]- 187.95038 116.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe