CID 2774943

Propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxy-

Structural Information

Molecular Formula
C4H3F7O
SMILES
COC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
InChIKey
NOPJRYAFUXTDLX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3206
Patents

200.00722 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01450 130.4
[M+Na]+ 222.99644 140.0
[M-H]- 198.99994 122.5
[M+NH4]+ 218.04104 149.3
[M+K]+ 238.97038 139.1
[M+H-H2O]+ 183.00448 121.4
[M+HCOO]- 245.00542 142.8
[M+CH3COO]- 259.02107 184.2
[M+Na-2H]- 220.98189 136.5
[M]+ 200.00667 121.3
[M]- 200.00777 121.3
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

No patent data available for this compound.