CID 112706953

1-(4-fluorophenyl)cyclopropane-1-carbothioamide

Structural Information

Molecular Formula
C10H10FNS
SMILES
C1CC1(C2=CC=C(C=C2)F)C(=S)N
InChI
InChI=1S/C10H10FNS/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H2,12,13)
InChIKey
QDSKATZGSYPUCQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)cyclopropane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.0518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05908 131.0
[M+Na]+ 218.04102 140.5
[M-H]- 194.04452 137.1
[M+NH4]+ 213.08562 147.4
[M+K]+ 234.01496 136.8
[M+H-H2O]+ 178.04906 124.6
[M+HCOO]- 240.05000 148.9
[M+CH3COO]- 254.06565 187.3
[M+Na-2H]- 216.02647 134.9
[M]+ 195.05125 131.4
[M]- 195.05235 131.4
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