CID 601331

2,3,5,6-tetrafluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

320
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

literature stripe

Patent stripe

patents stripe