CID 155542324

Refchem:906362

Structural Information

Molecular Formula
C17H10F5N3S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N/N=C/C3=CC(=C(C=C3)F)F)C(F)(F)F
InChI
InChI=1S/C17H10F5N3S/c18-13-6-1-10(7-14(13)19)8-23-25-16-24-15(9-26-16)11-2-4-12(5-3-11)17(20,21)22/h1-9H,(H,24,25)/b23-8+
InChIKey
XDKIXIWBMYDGIV-LIMNOBDPSA-N
Compound name
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.05154 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.058816 180.7
[M+Na]+ 406.040758 191.3
[M-H]- 382.044264 184.9
[M+NH4]+ 401.085363 193.7
[M+K]+ 422.014698 183.3
[M+H-H2O]+ 366.048800 167.5
[M+HCOO]- 428.049741 196.7
[M+CH3COO]- 442.065391 221.5
[M+Na-2H]- 404.026206 180.8
[M]+ 383.05099142 177.5
[M]- 383.05208858 177.5
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.