CID 51000228

156970-38-6

Structural Information

Molecular Formula
C8H9FN2S
SMILES
CC1=C(C=CC=C1F)NC(=S)N
InChI
InChI=1S/C8H9FN2S/c1-5-6(9)3-2-4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKey
ZHLWJSYVZICLLM-UHFFFAOYSA-N
Compound name
(3-fluoro-2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.04704 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05432 136.2
[M+Na]+ 207.03626 146.2
[M+NH4]+ 202.08086 144.4
[M+K]+ 223.01020 138.8
[M-H]- 183.03976 138.1
[M+Na-2H]- 205.02171 141.6
[M]+ 184.04649 138.4
[M]- 184.04759 138.4
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