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]+ 242.98866 136.6
[M+Na]+ 264.97060 145.0
[M-H]- 240.97410 127.1
[M+NH4]+ 260.01520 152.8
[M+K]+ 280.94454 143.6
[M+H-H2O]+ 224.97864 127.2
[M+HCOO]- 286.97958 146.9
[M+CH3COO]- 300.99523 187.6
[M+Na-2H]- 262.95605 137.8
[M]+ 241.98083 126.2
[M]- 241.98193 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.