CID 11172398

Tetrafluoroisophthalamide

Structural Information

Molecular Formula
C8H4F4N2O2
SMILES
C1(=C(C(=C(C(=C1F)F)F)C(=O)N)F)C(=O)N
InChI
InChI=1S/C8H4F4N2O2/c9-3-1(7(13)15)4(10)6(12)5(11)2(3)8(14)16/h(H2,13,15)(H2,14,16)
InChIKey
JDNPZWSPPAVPPP-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrafluorobenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.02089 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02817 142.3
[M+Na]+ 259.01011 153.1
[M-H]- 235.01361 141.2
[M+NH4]+ 254.05471 159.5
[M+K]+ 274.98405 149.9
[M+H-H2O]+ 219.01815 133.2
[M+HCOO]- 281.01909 162.3
[M+CH3COO]- 295.03474 198.4
[M+Na-2H]- 256.99556 140.9
[M]+ 236.02034 135.6
[M]- 236.02144 135.6
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