CID 23116759

(z)-3,4,4,4-tetrafluoro-2-butenoic acid

Structural Information

Molecular Formula
C4H2F4O2
SMILES
C(=C(/C(F)(F)F)\F)\C(=O)O
InChI
InChI=1S/C4H2F4O2/c5-2(1-3(9)10)4(6,7)8/h1H,(H,9,10)/b2-1-
InChIKey
WKAYWQKZZYEPTI-UPHRSURJSA-N
Compound name
(Z)-3,4,4,4-tetrafluorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

157.99908 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00636 122.9
[M+Na]+ 180.98830 131.3
[M-H]- 156.99180 117.1
[M+NH4]+ 176.03290 142.8
[M+K]+ 196.96224 130.1
[M+H-H2O]+ 140.99634 116.0
[M+HCOO]- 202.99728 138.9
[M+CH3COO]- 217.01293 172.4
[M+Na-2H]- 178.97375 126.4
[M]+ 157.99853 115.9
[M]- 157.99963 115.9
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