CID 9672

1-methoxy(perfluoro-2-methyl-1-propene)

Structural Information

Molecular Formula
C5H3F7O
SMILES
COC(=C(C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKey
FSDLLONBRLBIBL-UHFFFAOYSA-N
Compound name
1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

306
Patents

212.00722 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 133.1
[M+Na]+ 234.99644 142.0
[M-H]- 210.99994 125.0
[M+NH4]+ 230.04104 151.5
[M+K]+ 250.97038 140.7
[M+H-H2O]+ 195.00448 123.7
[M+HCOO]- 257.00542 145.1
[M+CH3COO]- 271.02107 185.8
[M+Na-2H]- 232.98189 135.6
[M]+ 212.00667 122.9
[M]- 212.00777 122.9
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