CID 4117033

2-(heptafluoropropyl)oxirane

Structural Information

Molecular Formula
C5H3F7O
SMILES
C1C(O1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F7O/c6-3(7,2-1-13-2)4(8,9)5(10,11)12/h2H,1H2
InChIKey
LTJNLPWVUOGYDI-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

212.00722 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 123.9
[M+Na]+ 234.99644 134.3
[M-H]- 210.99994 120.9
[M+NH4]+ 230.04104 136.3
[M+K]+ 250.97038 133.0
[M+H-H2O]+ 195.00448 113.2
[M+HCOO]- 257.00542 135.7
[M+CH3COO]- 271.02107 188.5
[M+Na-2H]- 232.98189 131.8
[M]+ 212.00667 117.4
[M]- 212.00777 117.4
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