CID 67806

2,2,3,3,4,4,4-heptafluoro-1-iodobutane

Structural Information

Molecular Formula
C4H2F7I
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2
InChIKey
AFHPVXVEXINDFS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
Patents

309.90894 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.91622 138.1
[M+Na]+ 332.89816 140.6
[M-H]- 308.90166 124.2
[M+NH4]+ 327.94276 152.2
[M+K]+ 348.87210 144.6
[M+H-H2O]+ 292.90620 125.9
[M+HCOO]- 354.90714 145.8
[M+CH3COO]- 368.92279 193.3
[M+Na-2H]- 330.88361 132.0
[M]+ 309.90839 126.0
[M]- 309.90949 126.0
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