CID 3038367

N-(4-fluorophenyl)butanethioamide

Structural Information

Molecular Formula
C10H12FNS
SMILES
CCCC(=S)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H12FNS/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3,(H,12,13)
InChIKey
MRWAICBXUCOEMW-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)butanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06744 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07472 139.8
[M+Na]+ 220.05666 147.1
[M-H]- 196.06016 142.2
[M+NH4]+ 215.10126 159.6
[M+K]+ 236.03060 143.3
[M+H-H2O]+ 180.06470 132.9
[M+HCOO]- 242.06564 157.7
[M+CH3COO]- 256.08129 186.1
[M+Na-2H]- 218.04211 142.1
[M]+ 197.06689 139.3
[M]- 197.06799 139.3
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

No patent data available for this compound.