CID 9575083

4-acetamido-2-fluorobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C10H11FN4OS
SMILES
CC(=O)NC1=CC(=C(C=C1)/C=N/NC(=S)N)F
InChI
InChI=1S/C10H11FN4OS/c1-6(16)14-8-3-2-7(9(11)4-8)5-13-15-10(12)17/h2-5H,1H3,(H,14,16)(H3,12,15,17)/b13-5+
InChIKey
RRQKFAVUOXEXDY-WLRTZDKTSA-N
Compound name
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-3-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.06377 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07105 153.8
[M+Na]+ 277.05299 159.9
[M-H]- 253.05649 157.0
[M+NH4]+ 272.09759 170.4
[M+K]+ 293.02693 156.1
[M+H-H2O]+ 237.06103 145.1
[M+HCOO]- 299.06197 174.8
[M+CH3COO]- 313.07762 204.3
[M+Na-2H]- 275.03844 155.1
[M]+ 254.06322 151.3
[M]- 254.06432 151.3
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.