CID 65053161

2-amino-5-bromo-3-fluorobenzene-1-thiol

Structural Information

Molecular Formula
C6H5BrFNS
SMILES
C1=C(C=C(C(=C1F)N)S)Br
InChI
InChI=1S/C6H5BrFNS/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H,9H2
InChIKey
PCZRTNUZBRMDBR-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-3-fluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.93102 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93830 126.8
[M+Na]+ 243.92024 140.8
[M-H]- 219.92374 132.6
[M+NH4]+ 238.96484 149.6
[M+K]+ 259.89418 128.2
[M+H-H2O]+ 203.92828 126.4
[M+HCOO]- 265.92922 144.0
[M+CH3COO]- 279.94487 186.6
[M+Na-2H]- 241.90569 131.7
[M]+ 220.93047 144.6
[M]- 220.93157 144.6
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.