CID 60076416

645378-67-2

Structural Information

Molecular Formula
C9H9ClF3N
SMILES
CNCC1=C(C(=CC=C1)C(F)(F)F)Cl
InChI
InChI=1S/C9H9ClF3N/c1-14-5-6-3-2-4-7(8(6)10)9(11,12)13/h2-4,14H,5H2,1H3
InChIKey
HIZRVQDPOUCMBY-UHFFFAOYSA-N
Compound name
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.03757 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.044846 141.4
[M+Na]+ 246.026788 151.3
[M-H]- 222.030294 141.5
[M+NH4]+ 241.071393 160.9
[M+K]+ 262.000728 146.4
[M+H-H2O]+ 206.034830 134.4
[M+HCOO]- 268.035771 157.7
[M+CH3COO]- 282.051421 190.2
[M+Na-2H]- 244.012236 146.9
[M]+ 223.03702142 139.3
[M]- 223.03811858 139.3
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

patents stripe