CID 2778286

4-methoxy-2-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C9H7F3O2
SMILES
COC1=CC(=C(C=C1)C=O)C(F)(F)F
InChI
InChI=1S/C9H7F3O2/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3
InChIKey
BVPVUMRIGHMFNV-UHFFFAOYSA-N
Compound name
4-methoxy-2-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

204.03981 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 146.3
[M+Na]+ 227.02903 156.1
[M+NH4]+ 222.07363 151.8
[M+K]+ 243.00297 150.7
[M-H]- 203.03253 143.1
[M+Na-2H]- 225.01448 150.4
[M]+ 204.03926 146.6
[M]- 204.04036 146.6
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