CID 16228933

930396-09-1

Structural Information

Molecular Formula
C8H9FN2S
SMILES
CC1=CC(=C(C=C1)NC(=S)N)F
InChI
InChI=1S/C8H9FN2S/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKey
GVJLDHXURKCRAT-UHFFFAOYSA-N
Compound name
(2-fluoro-4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.054316 135.1
[M+Na]+ 207.036258 143.3
[M-H]- 183.039764 137.5
[M+NH4]+ 202.080863 155.0
[M+K]+ 223.010198 139.3
[M+H-H2O]+ 167.044300 128.3
[M+HCOO]- 229.045241 153.9
[M+CH3COO]- 243.060891 185.4
[M+Na-2H]- 205.021706 137.0
[M]+ 184.04649142 132.5
[M]- 184.04758858 132.5
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.