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]+ 231.97901 132.8
[M+Na]+ 253.96095 145.2
[M-H]- 229.96445 139.2
[M+NH4]+ 249.00555 155.0
[M+K]+ 269.93489 132.6
[M+H-H2O]+ 213.96899 132.9
[M+HCOO]- 275.96993 150.4
[M+CH3COO]- 289.98558 188.7
[M+Na-2H]- 251.94640 138.0
[M]+ 230.97118 152.0
[M]- 230.97228 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.