CID 13680167

89621-93-2

Structural Information

Molecular Formula
C7H8F7IO
SMILES
C(CO)C(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C7H8F7IO/c8-5(9,3-4(15)1-2-16)6(10,11)7(12,13)14/h4,16H,1-3H2
InChIKey
JWQJXBUCHIQJPP-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoro-3-iodoheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

367.9508 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.95808 157.4
[M+Na]+ 390.94002 158.1
[M-H]- 366.94352 141.7
[M+NH4]+ 385.98462 168.5
[M+K]+ 406.91396 161.3
[M+H-H2O]+ 350.94806 144.7
[M+HCOO]- 412.94900 162.0
[M+CH3COO]- 426.96465 201.6
[M+Na-2H]- 388.92547 148.1
[M]+ 367.95025 145.2
[M]- 367.95135 145.2
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