CID 71758092

[4-chloro-3-(trifluoromethyl)phenyl](cyclopropyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H11ClF3N
SMILES
C1CC1C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N
InChI
InChI=1S/C11H11ClF3N/c12-9-4-3-7(10(16)6-1-2-6)5-8(9)11(13,14)15/h3-6,10H,1-2,16H2
InChIKey
UFNZLQSUZBZPGP-UHFFFAOYSA-N
Compound name
[4-chloro-3-(trifluoromethyl)phenyl]-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06048 138.9
[M+Na]+ 272.04242 148.9
[M-H]- 248.04592 142.1
[M+NH4]+ 267.08702 152.0
[M+K]+ 288.01636 143.1
[M+H-H2O]+ 232.05046 130.9
[M+HCOO]- 294.05140 153.9
[M+CH3COO]- 308.06705 197.5
[M+Na-2H]- 270.02787 142.5
[M]+ 249.05265 137.3
[M]- 249.05375 137.3
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.