CID 91875927

1803608-76-5

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]+ 231.979006 132.8
[M+Na]+ 253.960948 145.2
[M-H]- 229.964454 139.2
[M+NH4]+ 249.005553 155.0
[M+K]+ 269.934888 132.6
[M+H-H2O]+ 213.968990 132.9
[M+HCOO]- 275.969931 150.4
[M+CH3COO]- 289.985581 188.7
[M+Na-2H]- 251.946396 138.0
[M]+ 230.97118142 152.0
[M]- 230.97227858 152.0
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.