CID 69547

2,3,4,5,6-pentafluorobenzamide

Structural Information

Molecular Formula
C7H2F5NO
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
InChI
InChI=1S/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)
InChIKey
WPWWHXPRJFDTTJ-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2869
Patents

211.00566 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01294 133.1
[M+Na]+ 233.99488 145.4
[M-H]- 209.99838 131.4
[M+NH4]+ 229.03948 152.1
[M+K]+ 249.96882 141.8
[M+H-H2O]+ 194.00292 123.9
[M+HCOO]- 256.00386 152.6
[M+CH3COO]- 270.01951 191.4
[M+Na-2H]- 231.98033 133.9
[M]+ 211.00511 126.5
[M]- 211.00621 126.5
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