CID 2776773

226575-14-0

Structural Information

Molecular Formula
C5H3F7O
SMILES
C=CC(C(F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2
InChIKey
WBIQBVWPTRRHCM-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

212.00722 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 133.7
[M+Na]+ 234.99644 143.3
[M-H]- 210.99994 125.7
[M+NH4]+ 230.04104 152.1
[M+K]+ 250.97038 141.5
[M+H-H2O]+ 195.00448 124.6
[M+HCOO]- 257.00542 146.0
[M+CH3COO]- 271.02107 185.5
[M+Na-2H]- 232.98189 139.4
[M]+ 212.00667 124.2
[M]- 212.00777 124.2
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