CID 14219998

119285-89-1

Structural Information

Molecular Formula
C9H5F13O
SMILES
C1C(O1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H5F13O/c10-5(11,6(12,13)9(20,21)22)4(7(14,15)16,8(17,18)19)1-3-2-23-3/h3H,1-2H2
InChIKey
OARRIBKBFYYUPS-UHFFFAOYSA-N
Compound name
2-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

376.01328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02056 151.5
[M+Na]+ 399.00250 161.0
[M-H]- 375.00600 142.0
[M+NH4]+ 394.04710 157.2
[M+K]+ 414.97644 158.1
[M+H-H2O]+ 359.01054 136.8
[M+HCOO]- 421.01148 151.8
[M+CH3COO]- 435.02713 217.4
[M+Na-2H]- 396.98795 157.3
[M]+ 376.01273 135.7
[M]- 376.01383 135.7
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