CID 14298210

30934-62-4

Structural Information

Molecular Formula
C9H7F3O
SMILES
C1=CC(=CC=C1CC=O)C(F)(F)F
InChI
InChI=1S/C9H7F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,6H,5H2
InChIKey
JILROKHULOFASY-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

188.0449 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe