CID 165766864

4-bromo-2-(difluoromethoxy)-6-(methylsulfanyl)aniline

Structural Information

Molecular Formula
C8H8BrF2NOS
SMILES
CSC1=CC(=CC(=C1N)OC(F)F)Br
InChI
InChI=1S/C8H8BrF2NOS/c1-14-6-3-4(9)2-5(7(6)12)13-8(10)11/h2-3,8H,12H2,1H3
InChIKey
WUWIZKCYVMHNMS-UHFFFAOYSA-N
Compound name
4-bromo-2-(difluoromethoxy)-6-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95508 143.1
[M+Na]+ 305.93702 155.6
[M-H]- 281.94052 147.0
[M+NH4]+ 300.98162 163.1
[M+K]+ 321.91096 142.9
[M+H-H2O]+ 265.94506 141.0
[M+HCOO]- 327.94600 157.8
[M+CH3COO]- 341.96165 197.5
[M+Na-2H]- 303.92247 145.2
[M]+ 282.94725 161.1
[M]- 282.94835 161.1
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.