CID 33977

Heptafluoro-1-iodopropane

Structural Information

Molecular Formula
C3F7I
SMILES
C(C(F)(F)F)(C(F)(F)I)(F)F
InChI
InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
XTGYEAXBNRVNQU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1281
Patents

295.89328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90056 133.1
[M+Na]+ 318.88250 136.0
[M-H]- 294.88600 119.4
[M+NH4]+ 313.92710 147.7
[M+K]+ 334.85644 140.2
[M+H-H2O]+ 278.89054 121.1
[M+HCOO]- 340.89148 141.1
[M+CH3COO]- 354.90713 190.5
[M+Na-2H]- 316.86795 127.6
[M]+ 295.89273 120.6
[M]- 295.89383 120.6
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