CID 2775952

1,1,1,2,2-pentafluoro-2-methoxyethane

Structural Information

Molecular Formula
C3H3F5O
SMILES
COC(C(F)(F)F)(F)F
InChI
InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKey
GCDWNCOAODIANN-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1428
Patents

150.0104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01768 120.2
[M+Na]+ 172.99962 129.8
[M-H]- 149.00312 114.8
[M+NH4]+ 168.04422 141.4
[M+K]+ 188.97356 129.6
[M+H-H2O]+ 133.00766 112.8
[M+HCOO]- 195.00860 136.7
[M+CH3COO]- 209.02425 174.6
[M+Na-2H]- 170.98507 127.3
[M]+ 150.00985 114.2
[M]- 150.01095 114.2
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