CID 73769

4-amino-2,3,5,6-tetrafluorobenzamide

Structural Information

Molecular Formula
C7H4F4N2O
SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)N
InChI
InChI=1S/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)
InChIKey
CAERPAFTLPIDJT-UHFFFAOYSA-N
Compound name
4-amino-2,3,5,6-tetrafluorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

100
Patents

208.02597 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.033246 135.9
[M+Na]+ 231.015188 147.3
[M-H]- 207.018694 134.9
[M+NH4]+ 226.059793 154.5
[M+K]+ 246.989128 143.7
[M+H-H2O]+ 191.023230 127.1
[M+HCOO]- 253.024171 156.8
[M+CH3COO]- 267.039821 193.0
[M+Na-2H]- 229.000636 136.2
[M]+ 208.02542142 128.7
[M]- 208.02651858 128.7
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