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

42
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 125.4
[M+Na]+ 184.03445 135.8
[M-H]- 160.03795 126.1
[M+NH4]+ 179.07905 146.6
[M+K]+ 200.00839 133.0
[M+H-H2O]+ 144.04249 117.7
[M+HCOO]- 206.04343 148.4
[M+CH3COO]- 220.05908 181.8
[M+Na-2H]- 182.01990 131.1
[M]+ 161.04468 121.4
[M]- 161.04578 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