CID 688295

N,n-dimethyl-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C10H10F3NO
SMILES
CN(C)C(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C10H10F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
InChIKey
AVCRBLADHKZIJP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

217.07144 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 142.3
[M+Na]+ 240.06066 150.3
[M-H]- 216.06416 143.8
[M+NH4]+ 235.10526 161.4
[M+K]+ 256.03460 149.0
[M+H-H2O]+ 200.06870 133.9
[M+HCOO]- 262.06964 162.8
[M+CH3COO]- 276.08529 193.1
[M+Na-2H]- 238.04611 146.5
[M]+ 217.07089 139.3
[M]- 217.07199 139.3
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