CID 2776667

2356-62-9

Structural Information

Molecular Formula
C3HF7O
SMILES
C(C(F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKey
UDKWMTKIRQSDHF-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

796
Patents

185.99156 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.998836 125.6
[M+Na]+ 208.980778 135.1
[M-H]- 184.984284 117.7
[M+NH4]+ 204.025383 145.1
[M+K]+ 224.954718 134.5
[M+H-H2O]+ 168.988820 116.3
[M+HCOO]- 230.989761 139.0
[M+CH3COO]- 245.005411 180.8
[M+Na-2H]- 206.966226 130.3
[M]+ 185.99101142 116.1
[M]- 185.99210858 116.1
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