CID 2736867

2,6-dichloro-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H4Cl2F3NO
SMILES
C1=C(C=C(C(=C1Cl)C(=O)N)Cl)C(F)(F)F
InChI
InChI=1S/C8H4Cl2F3NO/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H2,14,15)
InChIKey
OWAIJGGUONLHEI-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

256.9622 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.96948 143.3
[M+Na]+ 279.95142 154.8
[M-H]- 255.95492 143.0
[M+NH4]+ 274.99602 161.6
[M+K]+ 295.92536 148.8
[M+H-H2O]+ 239.95946 137.6
[M+HCOO]- 301.96040 153.8
[M+CH3COO]- 315.97605 194.2
[M+Na-2H]- 277.93687 145.9
[M]+ 256.96165 141.6
[M]- 256.96275 141.6
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