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

literature stripe

Patent stripe

patents stripe