CID 87095

2'-(trifluoromethyl)acetophenone

Structural Information

Molecular Formula
C9H7F3O
SMILES
CC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3
InChIKey
FYDUUODXZQITBF-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

690
Patents

188.0449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05218 143.1
[M+Na]+ 211.03412 152.7
[M+NH4]+ 206.07872 149.1
[M+K]+ 227.00806 147.5
[M-H]- 187.03762 140.2
[M+Na-2H]- 209.01957 147.6
[M]+ 188.04435 143.4
[M]- 188.04545 143.4
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