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 136.7
[M+Na]+ 245.01962 149.2
[M-H]- 221.02312 136.5
[M+NH4]+ 240.06422 156.1
[M+K]+ 260.99356 146.1
[M+H-H2O]+ 205.02766 128.2
[M+HCOO]- 267.02860 157.5
[M+CH3COO]- 281.04425 191.5
[M+Na-2H]- 243.00507 139.2
[M]+ 222.02985 136.0
[M]- 222.03095 136.0
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