CID 28412324

5-fluoro-2-[(1-methyl-1h-imidazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H10FN3S
SMILES
CN1C=CN=C1SC2=C(C=C(C=C2)F)N
InChI
InChI=1S/C10H10FN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3
InChIKey
IYJFRYUKZZBWAC-UHFFFAOYSA-N
Compound name
5-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05795 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06523 146.3
[M+Na]+ 246.04717 158.5
[M+NH4]+ 241.09177 154.4
[M+K]+ 262.02111 151.8
[M-H]- 222.05067 148.7
[M+Na-2H]- 244.03262 153.0
[M]+ 223.05740 149.0
[M]- 223.05850 149.0
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.