CID 21246339

2-(3-(trifluoromethyl)phenyl)acetaldehyde

Structural Information

Molecular Formula
C9H7F3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CC=O
InChI
InChI=1S/C9H7F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,5-6H,4H2
InChIKey
LFHOLZIJDWJFKT-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
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 143.0
[M+Na]+ 211.03412 153.0
[M+NH4]+ 206.07872 149.1
[M+K]+ 227.00806 146.9
[M-H]- 187.03762 140.3
[M+Na-2H]- 209.01957 147.8
[M]+ 188.04435 143.5
[M]- 188.04545 143.5
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