CID 19702321

851262-98-1

Structural Information

Molecular Formula
C10H9F3O
SMILES
CC1=C(C=C(C=C1)C(=O)C)C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-6-3-4-8(7(2)14)5-9(6)10(11,12)13/h3-5H,1-2H3
InChIKey
KXCYWGJWOOJKJP-UHFFFAOYSA-N
Compound name
1-[4-methyl-3-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

202.06055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 137.1
[M+Na]+ 225.049768 146.8
[M-H]- 201.053274 137.6
[M+NH4]+ 220.094373 156.8
[M+K]+ 241.023708 144.2
[M+H-H2O]+ 185.057810 129.7
[M+HCOO]- 247.058751 156.1
[M+CH3COO]- 261.074401 186.6
[M+Na-2H]- 223.035216 141.2
[M]+ 202.06000142 134.2
[M]- 202.06109858 134.2
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