CID 24699736

3-amino-4-methyl-n-(2,2,2-trifluoroethyl)benzamide

Structural Information

Molecular Formula
C10H11F3N2O
SMILES
CC1=C(C=C(C=C1)C(=O)NCC(F)(F)F)N
InChI
InChI=1S/C10H11F3N2O/c1-6-2-3-7(4-8(6)14)9(16)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKey
KIZCVTPSAPRUAK-UHFFFAOYSA-N
Compound name
3-amino-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.08235 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08963 147.3
[M+Na]+ 255.07157 155.2
[M-H]- 231.07507 147.0
[M+NH4]+ 250.11617 164.7
[M+K]+ 271.04551 152.1
[M+H-H2O]+ 215.07961 138.8
[M+HCOO]- 277.08055 167.6
[M+CH3COO]- 291.09620 195.1
[M+Na-2H]- 253.05702 150.7
[M]+ 232.08180 141.6
[M]- 232.08290 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

No patent data available for this compound.