CID 6448295

(e)-4-(4-trifluoromethylphenyl)-4-oxo-2-butenoic acid

Structural Information

Molecular Formula
C11H7F3O3
SMILES
C1=CC(=CC=C1C(=O)/C=C/C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H7F3O3/c12-11(13,14)8-3-1-7(2-4-8)9(15)5-6-10(16)17/h1-6H,(H,16,17)/b6-5+
InChIKey
GTEGXWRXDLLGGZ-AATRIKPKSA-N
Compound name
(E)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.03473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04201 155.8
[M+Na]+ 267.02395 163.3
[M+NH4]+ 262.06855 159.4
[M+K]+ 282.99789 159.5
[M-H]- 243.02745 150.6
[M+Na-2H]- 265.00940 157.7
[M]+ 244.03418 154.8
[M]- 244.03528 154.8
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