CID 45054670

4-fluoro-n-(2-oxo-2-(2-(2-thienylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C14H12FN3O2S
SMILES
C1=CSC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H12FN3O2S/c15-11-5-3-10(4-6-11)14(20)16-9-13(19)18-17-8-12-2-1-7-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKey
RXJJLIQZMKOUTH-CAOOACKPSA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07070 167.5
[M+Na]+ 328.05264 173.3
[M-H]- 304.05614 174.2
[M+NH4]+ 323.09724 184.0
[M+K]+ 344.02658 169.2
[M+H-H2O]+ 288.06068 158.3
[M+HCOO]- 350.06162 189.8
[M+CH3COO]- 364.07727 208.2
[M+Na-2H]- 326.03809 168.8
[M]+ 305.06287 167.9
[M]- 305.06397 167.9
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.