CID 145896070

1261820-72-7

Structural Information

Molecular Formula
C13H9ClF3N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2)Cl)N
InChI
InChI=1S/C13H9ClF3N/c14-11-5-9(6-12(18)7-11)8-2-1-3-10(4-8)13(15,16)17/h1-7H,18H2
InChIKey
VRAYDFYJFQTXKQ-UHFFFAOYSA-N
Compound name
3-chloro-5-[3-(trifluoromethyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.03757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04485 154.7
[M+Na]+ 294.02679 165.3
[M-H]- 270.03029 157.6
[M+NH4]+ 289.07139 171.8
[M+K]+ 310.00073 158.4
[M+H-H2O]+ 254.03483 146.2
[M+HCOO]- 316.03577 170.5
[M+CH3COO]- 330.05142 198.3
[M+Na-2H]- 292.01224 158.8
[M]+ 271.03702 151.3
[M]- 271.03812 151.3
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.