CID 6891430

303103-99-3

Structural Information

Molecular Formula
C15H10BrFN4OS
SMILES
C1=CSC(=C1)C2=CC(=NN2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C15H10BrFN4OS/c16-10-3-4-11(17)9(6-10)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKey
GYUSJFJRZQLYGF-QGMBQPNBSA-N
Compound name
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.97427 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98155 171.9
[M+Na]+ 414.96349 185.3
[M-H]- 390.96699 182.2
[M+NH4]+ 410.00809 188.6
[M+K]+ 430.93743 171.4
[M+H-H2O]+ 374.97153 169.3
[M+HCOO]- 436.97247 191.5
[M+CH3COO]- 450.98812 185.6
[M+Na-2H]- 412.94894 174.1
[M]+ 391.97372 192.2
[M]- 391.97482 192.2
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.