CID 66511242

1-(3,5-dichlorophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H6Cl2F3N
SMILES
C1=C(C=C(C=C1Cl)Cl)C(C(F)(F)F)N
InChI
InChI=1S/C8H6Cl2F3N/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3,7H,14H2
InChIKey
LMPAYUBQCZTOPN-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

242.98294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99022 142.0
[M+Na]+ 265.97216 152.4
[M-H]- 241.97566 141.1
[M+NH4]+ 261.01676 160.6
[M+K]+ 281.94610 146.3
[M+H-H2O]+ 225.98020 136.0
[M+HCOO]- 287.98114 152.0
[M+CH3COO]- 301.99679 192.0
[M+Na-2H]- 263.95761 145.1
[M]+ 242.98239 139.1
[M]- 242.98349 139.1
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