CID 28574302

2377031-17-7

Structural Information

Molecular Formula
C7H6F3N
SMILES
CNC1=C(C(=C(C=C1)F)F)F
InChI
InChI=1S/C7H6F3N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,11H,1H3
InChIKey
XTUWTPWTMLHWQF-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

161.04523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 133.0
[M+Na]+ 184.03445 143.5
[M+NH4]+ 179.07905 139.9
[M+K]+ 200.00839 137.3
[M-H]- 160.03795 131.9
[M+Na-2H]- 182.01990 138.3
[M]+ 161.04468 133.9
[M]- 161.04578 133.9
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