CID 485442

Benzenemethanamine, 4-chloro-n-ethyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H11ClF3N
SMILES
CCNCC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C10H11ClF3N/c1-2-15-6-7-3-4-9(11)8(5-7)10(12,13)14/h3-5,15H,2,6H2,1H3
InChIKey
JWVORZCVWHSYAE-UHFFFAOYSA-N
Compound name
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

237.0532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06048 146.2
[M+Na]+ 260.04242 155.7
[M-H]- 236.04592 146.1
[M+NH4]+ 255.08702 165.1
[M+K]+ 276.01636 150.5
[M+H-H2O]+ 220.05046 138.9
[M+HCOO]- 282.05140 162.1
[M+CH3COO]- 296.06705 193.2
[M+Na-2H]- 258.02787 151.1
[M]+ 237.05265 144.4
[M]- 237.05375 144.4
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

No patent data available for this compound.