CID 9579009

Nsc676958

Structural Information

Molecular Formula
C9H10FN3S
SMILES
C/C(=N/NC(=S)N)/C1=CC=CC=C1F
InChI
InChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H3,11,13,14)/b12-6-
InChIKey
SYTQZZSJLXTVMO-SDQBBNPISA-N
Compound name
[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05795 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06523 143.3
[M+Na]+ 234.04717 149.7
[M-H]- 210.05067 146.6
[M+NH4]+ 229.09177 162.0
[M+K]+ 250.02111 146.3
[M+H-H2O]+ 194.05521 135.4
[M+HCOO]- 256.05615 163.4
[M+CH3COO]- 270.07180 194.2
[M+Na-2H]- 232.03262 145.2
[M]+ 211.05740 140.3
[M]- 211.05850 140.3
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.