CID 79517834

[2-fluoro-6-(methylsulfanyl)phenyl]methanamine

Structural Information

Molecular Formula
C8H10FNS
SMILES
CSC1=CC=CC(=C1CN)F
InChI
InChI=1S/C8H10FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKey
OZQJRMFUOXDIOS-UHFFFAOYSA-N
Compound name
(2-fluoro-6-methylsulfanylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05908 131.1
[M+Na]+ 194.04102 140.2
[M-H]- 170.04452 133.6
[M+NH4]+ 189.08562 152.1
[M+K]+ 210.01496 136.5
[M+H-H2O]+ 154.04906 124.7
[M+HCOO]- 216.05000 149.9
[M+CH3COO]- 230.06565 181.2
[M+Na-2H]- 192.02647 133.8
[M]+ 171.05125 130.7
[M]- 171.05235 130.7
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.