CID 30051717

3,5-dichloro-n-(2,2,2-trifluoroethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98294 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99022 142.2
[M+Na]+ 265.97216 152.8
[M-H]- 241.97566 141.7
[M+NH4]+ 261.01676 161.1
[M+K]+ 281.94610 146.6
[M+H-H2O]+ 225.98020 135.9
[M+HCOO]- 287.98114 153.7
[M+CH3COO]- 301.99679 191.8
[M+Na-2H]- 263.95761 147.4
[M]+ 242.98239 140.9
[M]- 242.98349 140.9
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

No patent data available for this compound.