CID 90112406

Schembl15661347

Structural Information

Molecular Formula
C4H7F3O
SMILES
C(CF)OCC(F)F
InChI
InChI=1S/C4H7F3O/c5-1-2-8-3-4(6)7/h4H,1-3H2
InChIKey
PWENIFBVIGNOJW-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-(2-fluoroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

128.0449 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05218 120.1
[M+Na]+ 151.03412 127.9
[M-H]- 127.03762 116.5
[M+NH4]+ 146.07872 142.1
[M+K]+ 167.00806 128.0
[M+H-H2O]+ 111.04216 113.1
[M+HCOO]- 173.04310 140.5
[M+CH3COO]- 187.05875 172.4
[M+Na-2H]- 149.01957 125.3
[M]+ 128.04435 117.7
[M]- 128.04545 117.7
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