CID 2737027

3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane

Structural Information

Molecular Formula
C4H4F6O
SMILES
C(C(C(F)F)(F)F)OC(F)F
InChI
InChI=1S/C4H4F6O/c5-2(6)4(9,10)1-11-3(7)8/h2-3H,1H2
InChIKey
PCTQNZRJAGLDPD-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2424
Patents

182.01663 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02391 127.7
[M+Na]+ 205.00585 135.9
[M-H]- 181.00935 120.5
[M+NH4]+ 200.05045 147.1
[M+K]+ 220.97979 135.4
[M+H-H2O]+ 165.01389 118.5
[M+HCOO]- 227.01483 142.4
[M+CH3COO]- 241.03048 182.4
[M+Na-2H]- 202.99130 130.4
[M]+ 182.01608 120.1
[M]- 182.01718 120.1
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