CID 89976397

2169795-24-6

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C/C(=C\C(=O)O)/C(F)F
InChI
InChI=1S/C5H6F2O2/c1-3(5(6)7)2-4(8)9/h2,5H,1H3,(H,8,9)/b3-2+
InChIKey
YNBKDAZJXBTDFV-NSCUHMNNSA-N
Compound name
(E)-4,4-difluoro-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

136.03358 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 123.4
[M+Na]+ 159.02280 130.6
[M-H]- 135.02630 119.9
[M+NH4]+ 154.06740 144.2
[M+K]+ 174.99674 130.0
[M+H-H2O]+ 119.03084 117.6
[M+HCOO]- 181.03178 141.8
[M+CH3COO]- 195.04743 171.0
[M+Na-2H]- 157.00825 125.6
[M]+ 136.03303 119.3
[M]- 136.03413 119.3
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