CID 139598175

Dhopflca n=1

Structural Information

Molecular Formula
C6H4F6O3
SMILES
C(C(=O)O)OC(/C(=C/C(F)(F)F)/F)(F)F
InChI
InChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)/b3-1-
InChIKey
ZFZXIMMYKHEGKN-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,4,4,4-hexafluorobut-2-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.00647 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01375 139.5
[M+Na]+ 260.99569 147.6
[M-H]- 236.99919 131.0
[M+NH4]+ 256.04029 156.0
[M+K]+ 276.96963 145.9
[M+H-H2O]+ 221.00373 130.7
[M+HCOO]- 283.00467 151.5
[M+CH3COO]- 297.02032 186.7
[M+Na-2H]- 258.98114 141.9
[M]+ 238.00592 131.5
[M]- 238.00702 131.5
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

No patent data available for this compound.