CID 28574302

2,3,4-trifluoro-n-methylaniline hydrochloride

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

47
Patents

161.04523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.052506 125.4
[M+Na]+ 184.034448 135.8
[M-H]- 160.037954 126.1
[M+NH4]+ 179.079053 146.6
[M+K]+ 200.008388 133.0
[M+H-H2O]+ 144.042490 117.7
[M+HCOO]- 206.043431 148.4
[M+CH3COO]- 220.059081 181.8
[M+Na-2H]- 182.019896 131.1
[M]+ 161.04468142 121.4
[M]- 161.04577858 121.4
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