CID 2774223

(2,5-difluorophenyl)thiourea

Structural Information

Molecular Formula
C7H6F2N2S
SMILES
C1=CC(=C(C=C1F)NC(=S)N)F
InChI
InChI=1S/C7H6F2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
JBWSNSWRTOFDBM-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

188.02197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.029246 132.7
[M+Na]+ 211.011188 141.2
[M-H]- 187.014694 133.8
[M+NH4]+ 206.055793 152.2
[M+K]+ 226.985128 137.1
[M+H-H2O]+ 171.019230 125.0
[M+HCOO]- 233.020171 150.7
[M+CH3COO]- 247.035821 185.2
[M+Na-2H]- 208.996636 134.5
[M]+ 188.02142142 128.5
[M]- 188.02251858 128.5
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