CID 542861

679-87-8

Structural Information

Molecular Formula
C3H3F4I
SMILES
C(C(C(F)F)(F)F)I
InChI
InChI=1S/C3H3F4I/c4-2(5)3(6,7)1-8/h2H,1H2
InChIKey
VOUMUNAZCCDSHT-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

214
Patents

241.92155 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92883 125.9
[M+Na]+ 264.91077 127.5
[M-H]- 240.91427 115.1
[M+NH4]+ 259.95537 142.6
[M+K]+ 280.88471 132.6
[M+H-H2O]+ 224.91881 115.5
[M+HCOO]- 286.91975 139.0
[M+CH3COO]- 300.93540 182.5
[M+Na-2H]- 262.89622 119.3
[M]+ 241.92100 117.9
[M]- 241.92210 117.9
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