CID 141226742

2,3,5,6-tetrafluoro-4-(methoxymethyl)benzaldehyde

Structural Information

Molecular Formula
C9H6F4O2
SMILES
COCC1=C(C(=C(C(=C1F)F)C=O)F)F
InChI
InChI=1S/C9H6F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h2H,3H2,1H3
InChIKey
DUQLGLQMFNGNNT-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.0304 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03768 153.9
[M+Na]+ 245.01962 163.3
[M+NH4]+ 240.06422 158.3
[M+K]+ 260.99356 157.5
[M-H]- 221.02312 149.9
[M+Na-2H]- 243.00507 156.1
[M]+ 222.02985 153.8
[M]- 222.03095 153.8
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