CID 2775067

103229-89-6

Structural Information

Molecular Formula
C6HF9O2
SMILES
C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)(\C(=O)O)/F
InChI
InChI=1S/C6HF9O2/c7-1(3(16)17)2(8)4(9,5(10,11)12)6(13,14)15/h(H,16,17)/b2-1+
InChIKey
TWDHAMRDYDLSPH-OWOJBTEDSA-N
Compound name
(E)-2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

275.98328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99056 143.1
[M+Na]+ 298.97250 151.7
[M-H]- 274.97600 131.4
[M+NH4]+ 294.01710 157.8
[M+K]+ 314.94644 149.3
[M+H-H2O]+ 258.98054 132.6
[M+HCOO]- 320.98148 149.2
[M+CH3COO]- 334.99713 194.5
[M+Na-2H]- 296.95795 143.5
[M]+ 275.98273 128.0
[M]- 275.98383 128.0
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