CID 132200092

3,3,4,5,5,6,6,7,7,7-decafluoroheptan-2-ol

Structural Information

Molecular Formula
C7H6F10O
SMILES
CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)F)(F)F)O
InChI
InChI=1S/C7H6F10O/c1-2(18)4(9,10)3(8)5(11,12)6(13,14)7(15,16)17/h2-3,18H,1H3
InChIKey
UBEKWJSJCWEAHM-UHFFFAOYSA-N
Compound name
3,3,4,5,5,6,6,7,7,7-decafluoroheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

296.0259 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03318 151.0
[M+Na]+ 319.01512 159.1
[M-H]- 295.01862 138.2
[M+NH4]+ 314.05972 164.9
[M+K]+ 334.98906 156.9
[M+H-H2O]+ 279.02316 139.8
[M+HCOO]- 341.02410 154.5
[M+CH3COO]- 355.03975 201.6
[M+Na-2H]- 317.00057 152.2
[M]+ 296.02535 134.8
[M]- 296.02645 134.8
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