CID 91875927

2-bromo-6-(ethylsulfanyl)aniline

Structural Information

Molecular Formula
C8H10BrNS
SMILES
CCSC1=C(C(=CC=C1)Br)N
InChI
InChI=1S/C8H10BrNS/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2,10H2,1H3
InChIKey
HVFHXLAZLOYKGW-UHFFFAOYSA-N
Compound name
2-bromo-6-ethylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.97173 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97901 130.3
[M+Na]+ 253.96095 133.7
[M+NH4]+ 249.00555 136.5
[M+K]+ 269.93489 131.9
[M-H]- 229.96445 132.4
[M+Na-2H]- 251.94640 134.7
[M]+ 230.97118 130.7
[M]- 230.97228 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.