CID 4770945

2-(2,2,2-trifluoroethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H7F3O2
SMILES
C1=CC=C(C(=C1)C=O)OCC(F)(F)F
InChI
InChI=1S/C9H7F3O2/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13/h1-5H,6H2
InChIKey
MNWBWWJSOWACTN-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

204.03981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 137.0
[M+Na]+ 227.02903 146.3
[M-H]- 203.03253 137.1
[M+NH4]+ 222.07363 156.2
[M+K]+ 243.00297 143.9
[M+H-H2O]+ 187.03707 129.1
[M+HCOO]- 249.03801 157.5
[M+CH3COO]- 263.05366 183.6
[M+Na-2H]- 225.01448 143.4
[M]+ 204.03926 135.3
[M]- 204.04036 135.3
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