CID 11954656

2,2-difluoropent-4-enoic acid

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C=CCC(C(=O)O)(F)F
InChI
InChI=1S/C5H6F2O2/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H,8,9)
InChIKey
LHOKYUDUAYXFGF-UHFFFAOYSA-N
Compound name
2,2-difluoropent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

214
Patents

136.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 122.4
[M+Na]+ 159.02280 130.5
[M-H]- 135.02630 119.1
[M+NH4]+ 154.06740 143.5
[M+K]+ 174.99674 129.4
[M+H-H2O]+ 119.03084 117.2
[M+HCOO]- 181.03178 141.3
[M+CH3COO]- 195.04743 170.1
[M+Na-2H]- 157.00825 127.9
[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

literature stripe

Patent stripe

patents stripe