CID 9560668

577791-55-0

Structural Information

Molecular Formula
C23H15FN4S
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/N4C(=NNC4=S)C5=CC=CC=C5F
InChI
InChI=1S/C23H15FN4S/c24-21-12-6-5-11-19(21)22-26-27-23(29)28(22)25-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,27,29)/b25-14+
InChIKey
QNPMZGAQKNBQAC-AFUMVMLFSA-N
Compound name
4-[(E)-anthracen-9-ylmethylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.10016 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10744 193.3
[M+Na]+ 421.08938 206.2
[M-H]- 397.09288 200.8
[M+NH4]+ 416.13398 204.7
[M+K]+ 437.06332 195.2
[M+H-H2O]+ 381.09742 182.2
[M+HCOO]- 443.09836 209.1
[M+CH3COO]- 457.11401 203.3
[M+Na-2H]- 419.07483 196.9
[M]+ 398.09961 195.5
[M]- 398.10071 195.5
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.