CID 676451

4-(2,4-difluorophenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C7H7F2N3S
SMILES
C1=CC(=C(C=C1F)F)NC(=S)NN
InChI
InChI=1S/C7H7F2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey
RNPFEUCQZZXGCF-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-difluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

203.03287 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04015 136.3
[M+Na]+ 226.02209 144.1
[M-H]- 202.02559 137.3
[M+NH4]+ 221.06669 154.9
[M+K]+ 241.99603 139.8
[M+H-H2O]+ 186.03013 128.1
[M+HCOO]- 248.03107 155.3
[M+CH3COO]- 262.04672 189.6
[M+Na-2H]- 224.00754 138.7
[M]+ 203.03232 131.3
[M]- 203.03342 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe