CID 5385354

(2z)-2-fluorobut-2-enedioic acid

Structural Information

Molecular Formula
C4H3FO4
SMILES
C(=C(/C(=O)O)\F)\C(=O)O
InChI
InChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-
InChIKey
OISKHJXTRQPMQT-UPHRSURJSA-N
Compound name
(Z)-2-fluorobut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

63
Patents

134.00154 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.00882 121.0
[M+Na]+ 156.99076 128.4
[M-H]- 132.99426 117.6
[M+NH4]+ 152.03536 141.1
[M+K]+ 172.96470 127.9
[M+H-H2O]+ 116.99880 116.2
[M+HCOO]- 178.99974 140.0
[M+CH3COO]- 193.01539 165.8
[M+Na-2H]- 154.97621 123.8
[M]+ 134.00099 118.2
[M]- 134.00209 118.2
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