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]+ 224.04485 141.6
[M+Na]+ 246.02679 151.3
[M-H]- 222.03029 141.3
[M+NH4]+ 241.07139 160.7
[M+K]+ 262.00073 146.5
[M+H-H2O]+ 206.03483 134.8
[M+HCOO]- 268.03577 156.3
[M+CH3COO]- 282.05142 190.4
[M+Na-2H]- 244.01224 144.9
[M]+ 223.03702 137.9
[M]- 223.03812 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