CID 10900854

Ethyl 4,4,4-trifluoro-3-phenylbut-2-enoate

Structural Information

Molecular Formula
C12H11F3O2
SMILES
CCOC(=O)/C=C(\C1=CC=CC=C1)/C(F)(F)F
InChI
InChI=1S/C12H11F3O2/c1-2-17-11(16)8-10(12(13,14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKey
SNOHGJYJJUSAKS-CSKARUKUSA-N
Compound name
ethyl (E)-4,4,4-trifluoro-3-phenylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.07112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07840 150.5
[M+Na]+ 267.06034 157.5
[M-H]- 243.06384 149.9
[M+NH4]+ 262.10494 167.7
[M+K]+ 283.03428 154.8
[M+H-H2O]+ 227.06838 142.1
[M+HCOO]- 289.06932 168.3
[M+CH3COO]- 303.08497 190.9
[M+Na-2H]- 265.04579 153.6
[M]+ 244.07057 147.5
[M]- 244.07167 147.5
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