CID 23127427

2,3,4,6-tetrafluorobenzaldehyde

Structural Information

Molecular Formula
C7H2F4O
SMILES
C1=C(C(=C(C(=C1F)F)F)C=O)F
InChI
InChI=1S/C7H2F4O/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1-2H
InChIKey
XONVPSZUROJHEQ-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrafluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.00418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01146 124.5
[M+Na]+ 200.99340 136.9
[M-H]- 176.99690 124.3
[M+NH4]+ 196.03800 145.4
[M+K]+ 216.96734 133.8
[M+H-H2O]+ 161.00144 116.4
[M+HCOO]- 223.00238 145.8
[M+CH3COO]- 237.01803 182.2
[M+Na-2H]- 198.97885 128.8
[M]+ 178.00363 121.2
[M]- 178.00473 121.2
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