CID 15241

4-fluorophenyl isothiocyanate

Structural Information

Molecular Formula
C7H4FNS
SMILES
C1=CC(=CC=C1N=C=S)F
InChI
InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey
NFIUJHJMCQQYDL-UHFFFAOYSA-N
Compound name
1-fluoro-4-isothiocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1101
Patents

153.00485 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01213 124.3
[M+Na]+ 175.99407 134.1
[M-H]- 151.99757 128.8
[M+NH4]+ 171.03867 146.6
[M+K]+ 191.96801 130.9
[M+H-H2O]+ 136.00211 117.8
[M+HCOO]- 198.00305 146.0
[M+CH3COO]- 212.01870 178.0
[M+Na-2H]- 173.97952 129.7
[M]+ 153.00430 124.6
[M]- 153.00540 124.6
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