CID 170073

3-perfluorohexyl-1,2-epoxypropane

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

548
Patents

376.01328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02056 151.2
[M+Na]+ 399.00250 160.6
[M-H]- 375.00600 141.7
[M+NH4]+ 394.04710 156.8
[M+K]+ 414.97644 157.7
[M+H-H2O]+ 359.01054 136.5
[M+HCOO]- 421.01148 151.6
[M+CH3COO]- 435.02713 218.5
[M+Na-2H]- 396.98795 157.1
[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

literature stripe

Patent stripe

patents stripe