CID 389952

Nsc686655

Structural Information

Molecular Formula
C11H8F3N3OS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-17-10-15-8(6-19-10)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,16,18)
InChIKey
ALLLYMWJRWSPIZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N'-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.03403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04131 156.3
[M+Na]+ 310.02325 164.3
[M-H]- 286.02675 158.3
[M+NH4]+ 305.06785 172.1
[M+K]+ 325.99719 159.6
[M+H-H2O]+ 270.03129 146.3
[M+HCOO]- 332.03223 172.8
[M+CH3COO]- 346.04788 199.4
[M+Na-2H]- 308.00870 159.0
[M]+ 287.03348 153.2
[M]- 287.03458 153.2
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.