CID 22612971

1-[4-chloro-2-(trifluoromethyl)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C9H9ClF3N
SMILES
CC(C1=C(C=C(C=C1)Cl)C(F)(F)F)N
InChI
InChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3
InChIKey
VRJFJMHXALWFOQ-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

223.03757 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.044846 141.6
[M+Na]+ 246.026788 151.3
[M-H]- 222.030294 141.3
[M+NH4]+ 241.071393 160.7
[M+K]+ 262.000728 146.5
[M+H-H2O]+ 206.034830 134.8
[M+HCOO]- 268.035771 156.3
[M+CH3COO]- 282.051421 190.4
[M+Na-2H]- 244.012236 144.9
[M]+ 223.03702142 137.9
[M]- 223.03811858 137.9
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