CID 3023644

94133-64-9

Structural Information

Molecular Formula
C16H10Cl2F3NO2
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C16H10Cl2F3NO2/c17-10-3-1-8(13(18)7-10)5-12(15(23)24)11-4-2-9(6-14(11)22)16(19,20)21/h1-7H,22H2,(H,23,24)
InChIKey
HLPCUGIVUZTSQH-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.00406 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01134 175.8
[M+Na]+ 397.99328 185.9
[M-H]- 373.99678 177.0
[M+NH4]+ 393.03788 188.5
[M+K]+ 413.96722 177.5
[M+H-H2O]+ 358.00132 168.4
[M+HCOO]- 420.00226 183.3
[M+CH3COO]- 434.01791 213.8
[M+Na-2H]- 395.97873 174.7
[M]+ 375.00351 174.1
[M]- 375.00461 174.1
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

No patent data available for this compound.