CID 10420501

2,3,5,6-tetrafluoroterephthalaldehyde

Structural Information

Molecular Formula
C8H2F4O2
SMILES
C(=O)C1=C(C(=C(C(=C1F)F)C=O)F)F
InChI
InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
InChIKey
WJHRAPYKYJKACM-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoroterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

205.99908 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00636 130.1
[M+Na]+ 228.98830 143.3
[M-H]- 204.99180 130.2
[M+NH4]+ 224.03290 150.1
[M+K]+ 244.96224 139.9
[M+H-H2O]+ 188.99634 121.9
[M+HCOO]- 250.99728 151.5
[M+CH3COO]- 265.01293 187.6
[M+Na-2H]- 226.97375 133.3
[M]+ 205.99853 128.3
[M]- 205.99963 128.3
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