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]+ 223.037676 136.7
[M+Na]+ 245.019618 149.2
[M-H]- 221.023124 136.5
[M+NH4]+ 240.064223 156.1
[M+K]+ 260.993558 146.1
[M+H-H2O]+ 205.027660 128.2
[M+HCOO]- 267.028601 157.5
[M+CH3COO]- 281.044251 191.5
[M+Na-2H]- 243.005066 139.2
[M]+ 222.02985142 136.0
[M]- 222.03094858 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