CID 2776961

2,4,6-trifluorobenzamide

Structural Information

Molecular Formula
C7H4F3NO
SMILES
C1=C(C=C(C(=C1F)C(=O)N)F)F
InChI
InChI=1S/C7H4F3NO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H2,11,12)
InChIKey
HZPJPMSPYIODNA-UHFFFAOYSA-N
Compound name
2,4,6-trifluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

175.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03178 128.3
[M+Na]+ 198.01372 138.6
[M-H]- 174.01722 128.6
[M+NH4]+ 193.05832 148.4
[M+K]+ 213.98766 135.9
[M+H-H2O]+ 158.02176 120.5
[M+HCOO]- 220.02270 150.1
[M+CH3COO]- 234.03835 183.2
[M+Na-2H]- 195.99917 131.6
[M]+ 175.02395 123.4
[M]- 175.02505 123.4
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