CID 24693275

1-(4-chlorophenyl)-2,2,2-trifluoroethanamine

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
C1=CC(=CC=C1C(C(F)(F)F)N)Cl
InChI
InChI=1S/C8H7ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2
InChIKey
ZGFGADXCVWZZHD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

209.02191 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 137.2
[M+Na]+ 232.01113 146.3
[M-H]- 208.01463 136.7
[M+NH4]+ 227.05573 156.5
[M+K]+ 247.98507 141.7
[M+H-H2O]+ 192.01917 130.2
[M+HCOO]- 254.02011 152.2
[M+CH3COO]- 268.03576 186.2
[M+Na-2H]- 229.99658 141.6
[M]+ 209.02136 132.7
[M]- 209.02246 132.7
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