CID 2779272

2-methoxy-5-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

204.03981 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.047086 136.2
[M+Na]+ 227.029028 146.5
[M-H]- 203.032534 136.7
[M+NH4]+ 222.073633 155.8
[M+K]+ 243.002968 144.2
[M+H-H2O]+ 187.037070 128.6
[M+HCOO]- 249.038011 156.7
[M+CH3COO]- 263.053661 184.7
[M+Na-2H]- 225.014476 142.1
[M]+ 204.03926142 135.0
[M]- 204.04035858 135.0
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