CID 74668

1885-48-9

Structural Information

Molecular Formula
C3H3F5O
SMILES
C(C(F)(F)F)OC(F)F
InChI
InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKey
ZASBKNPRLPFSCA-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1146
Patents

150.0104 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01768 120.4
[M+Na]+ 172.99962 129.3
[M-H]- 149.00312 114.7
[M+NH4]+ 168.04422 141.4
[M+K]+ 188.97356 129.1
[M+H-H2O]+ 133.00766 112.4
[M+HCOO]- 195.00860 137.5
[M+CH3COO]- 209.02425 174.9
[M+Na-2H]- 170.98507 125.5
[M]+ 150.00985 114.3
[M]- 150.01095 114.3
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