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 136.7
[M+Na]+ 226.04502 146.5
[M-H]- 202.04852 138.8
[M+NH4]+ 221.08962 156.8
[M+K]+ 242.01896 145.1
[M+H-H2O]+ 186.05306 128.4
[M+HCOO]- 248.05400 159.0
[M+CH3COO]- 262.06965 192.7
[M+Na-2H]- 224.03047 139.4
[M]+ 203.05525 134.8
[M]- 203.05635 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