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

12
Patents

203.0558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 145.1
[M+Na]+ 226.04502 154.6
[M+NH4]+ 221.08962 151.0
[M+K]+ 242.01896 149.5
[M-H]- 202.04852 143.3
[M+Na-2H]- 224.03047 149.1
[M]+ 203.05525 145.6
[M]- 203.05635 145.6
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