CID 118555

3,3,4,4-tetrafluoro-4-iodo-1-butene

Structural Information

Molecular Formula
C4H3F4I
SMILES
C=CC(C(F)(F)I)(F)F
InChI
InChI=1S/C4H3F4I/c1-2-3(5,6)4(7,8)9/h2H,1H2
InChIKey
OUJSWWHXKJQNMJ-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-4-iodobut-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

817
Patents

253.92155 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.92883 129.4
[M+Na]+ 276.91077 131.5
[M-H]- 252.91427 118.8
[M+NH4]+ 271.95537 145.8
[M+K]+ 292.88471 135.8
[M+H-H2O]+ 236.91881 119.4
[M+HCOO]- 298.91975 141.8
[M+CH3COO]- 312.93540 184.1
[M+Na-2H]- 274.89622 124.1
[M]+ 253.92100 121.2
[M]- 253.92210 121.2
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