CID 59346918

2,4,5-trifluoro-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C9H8F3NO
SMILES
CN(C)C(=O)C1=CC(=C(C=C1F)F)F
InChI
InChI=1S/C9H8F3NO/c1-13(2)9(14)5-3-7(11)8(12)4-6(5)10/h3-4H,1-2H3
InChIKey
JCTJQKMWWXOCDV-UHFFFAOYSA-N
Compound name
2,4,5-trifluoro-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.0558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.063076 136.7
[M+Na]+ 226.045018 146.5
[M-H]- 202.048524 138.8
[M+NH4]+ 221.089623 156.8
[M+K]+ 242.018958 145.1
[M+H-H2O]+ 186.053060 128.4
[M+HCOO]- 248.054001 159.0
[M+CH3COO]- 262.069651 192.7
[M+Na-2H]- 224.030466 139.4
[M]+ 203.05525142 134.8
[M]- 203.05634858 134.8
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