CID 119001401

2-amino-4-bromo-5-chlorophenol

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
C1=C(C(=CC(=C1Br)Cl)O)N
InChI
InChI=1S/C6H5BrClNO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
InChIKey
FXDRSNMVNIIREK-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-5-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

220.9243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.931576 133.9
[M+Na]+ 243.913518 147.8
[M-H]- 219.917024 139.2
[M+NH4]+ 238.958123 156.1
[M+K]+ 259.887458 134.3
[M+H-H2O]+ 203.921560 135.2
[M+HCOO]- 265.922501 151.4
[M+CH3COO]- 279.938151 183.6
[M+Na-2H]- 241.898966 140.7
[M]+ 220.92375142 151.9
[M]- 220.92484858 151.9
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

patents stripe