CID 2732698

16822-86-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

184.04704 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05432 135.1
[M+Na]+ 207.03626 143.3
[M-H]- 183.03976 137.5
[M+NH4]+ 202.08086 155.0
[M+K]+ 223.01020 139.3
[M+H-H2O]+ 167.04430 128.3
[M+HCOO]- 229.04524 153.9
[M+CH3COO]- 243.06089 185.4
[M+Na-2H]- 205.02171 137.0
[M]+ 184.04649 132.5
[M]- 184.04759 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

patents stripe