CID 5271576

1,4-dimethyl (2z)-2-fluorobut-2-enedioate

Structural Information

Molecular Formula
C6H7FO4
SMILES
COC(=O)/C=C(/C(=O)OC)\F
InChI
InChI=1S/C6H7FO4/c1-10-5(8)3-4(7)6(9)11-2/h3H,1-2H3/b4-3-
InChIKey
ZZQHBYBCVBOUSV-ARJAWSKDSA-N
Compound name
dimethyl (Z)-2-fluorobut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

162.03284 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04012 128.8
[M+Na]+ 185.02206 136.5
[M-H]- 161.02556 128.1
[M+NH4]+ 180.06666 149.5
[M+K]+ 200.99600 137.3
[M+H-H2O]+ 145.03010 123.4
[M+HCOO]- 207.03104 150.3
[M+CH3COO]- 221.04669 175.7
[M+Na-2H]- 183.00751 131.8
[M]+ 162.03229 130.5
[M]- 162.03339 130.5
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