CID 130023131

1824575-35-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.9
[M+Na]+ 260.04242 155.1
[M-H]- 236.04592 145.9
[M+NH4]+ 255.08702 164.7
[M+K]+ 276.01636 150.4
[M+H-H2O]+ 220.05046 138.7
[M+HCOO]- 282.05140 160.8
[M+CH3COO]- 296.06705 194.1
[M+Na-2H]- 258.02787 149.6
[M]+ 237.05265 143.5
[M]- 237.05375 143.5
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.