CID 65811597

1798725-72-0

Structural Information

Molecular Formula
C8H6ClF4N
SMILES
C1=CC(=C(C=C1C(C(F)(F)F)N)Cl)F
InChI
InChI=1S/C8H6ClF4N/c9-5-3-4(1-2-6(5)10)7(14)8(11,12)13/h1-3,7H,14H2
InChIKey
BPSJTWPQNNWBOR-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.0125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01978 139.3
[M+Na]+ 250.00172 149.4
[M-H]- 226.00522 137.7
[M+NH4]+ 245.04632 158.1
[M+K]+ 265.97566 144.4
[M+H-H2O]+ 210.00976 131.6
[M+HCOO]- 272.01070 153.2
[M+CH3COO]- 286.02635 190.2
[M+Na-2H]- 247.98717 142.4
[M]+ 227.01195 133.9
[M]- 227.01305 133.9
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