CID 13365884

61062-56-4

Structural Information

Molecular Formula
C9H8F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)CN
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4H,5,13H2
InChIKey
DVMAOBMOGUURBU-UHFFFAOYSA-N
Compound name
2-amino-1-[3-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

203.0558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 144.4
[M+Na]+ 226.04502 152.6
[M+NH4]+ 221.08962 149.8
[M+K]+ 242.01896 148.0
[M-H]- 202.04852 141.5
[M+Na-2H]- 224.03047 148.2
[M]+ 203.05525 144.4
[M]- 203.05635 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