CID 139595311

(e)-perfluoro-2-propeneoxyacetic acid

Structural Information

Molecular Formula
C5HF7O3
SMILES
C(=C(/OC(C(=O)O)(F)F)\F)(\C(F)(F)F)/F
InChI
InChI=1S/C5HF7O3/c6-1(4(8,9)10)2(7)15-5(11,12)3(13)14/h(H,13,14)/b2-1-
InChIKey
HUFPFBMIWQHFBL-UPHRSURJSA-N
Compound name
2,2-difluoro-2-[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.98138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.988656 136.6
[M+Na]+ 264.970598 145.0
[M-H]- 240.974104 127.1
[M+NH4]+ 260.015203 152.8
[M+K]+ 280.944538 143.6
[M+H-H2O]+ 224.978640 127.2
[M+HCOO]- 286.979581 146.9
[M+CH3COO]- 300.995231 187.6
[M+Na-2H]- 262.956046 137.8
[M]+ 241.98083142 126.2
[M]- 241.98192858 126.2
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.