CID 2775973

(2,3,4,5,6-pentafluorophenyl) prop-2-enoate

Structural Information

Molecular Formula
C9H3F5O2
SMILES
C=CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
InChIKey
RFOWDPMCXHVGET-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1743
Patents

238.00533 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.012606 138.1
[M+Na]+ 260.994548 150.7
[M-H]- 236.998054 136.7
[M+NH4]+ 256.039153 156.7
[M+K]+ 276.968488 147.1
[M+H-H2O]+ 221.002590 128.8
[M+HCOO]- 283.003531 157.1
[M+CH3COO]- 297.019181 193.7
[M+Na-2H]- 258.979996 138.8
[M]+ 238.00478142 134.7
[M]- 238.00587858 134.7
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