CID 522270

67515-74-6

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=CC(=C(C=C1CN)C(F)(F)F)F
InChI
InChI=1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey
HZDVQEUISWBXPV-UHFFFAOYSA-N
Compound name
[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

396
Patents

193.05147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 144.5
[M+Na]+ 216.04069 152.5
[M+NH4]+ 211.08529 149.7
[M+K]+ 232.01463 147.4
[M-H]- 192.04419 141.1
[M+Na-2H]- 214.02614 148.0
[M]+ 193.05092 144.4
[M]- 193.05202 144.4
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