CID 13510285

2-[4-(trifluoromethyl)phenyl]propanal

Structural Information

Molecular Formula
C10H9F3O
SMILES
CC(C=O)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-7(6-14)8-2-4-9(5-3-8)10(11,12)13/h2-7H,1H3
InChIKey
DSSWFPLIMLGSAD-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

202.06055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 138.1
[M+Na]+ 225.04977 146.8
[M-H]- 201.05327 138.2
[M+NH4]+ 220.09437 157.4
[M+K]+ 241.02371 144.2
[M+H-H2O]+ 185.05781 130.4
[M+HCOO]- 247.05875 157.1
[M+CH3COO]- 261.07440 185.4
[M+Na-2H]- 223.03522 142.8
[M]+ 202.06000 134.8
[M]- 202.06110 134.8
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