CID 2777192

2-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=CC=C(C(=C1)C=O)OC(F)(F)F
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
InChIKey
CPHXLFKIUVVIOQ-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3105
Patents

190.02417 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 132.2
[M+Na]+ 213.01339 141.9
[M-H]- 189.01689 132.4
[M+NH4]+ 208.05799 152.0
[M+K]+ 228.98733 139.8
[M+H-H2O]+ 173.02143 124.5
[M+HCOO]- 235.02237 153.0
[M+CH3COO]- 249.03802 180.5
[M+Na-2H]- 210.99884 139.2
[M]+ 190.02362 130.2
[M]- 190.02472 130.2
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