CID 15521089

2-amino-6-bromo-4-chlorophenol

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
C1=C(C=C(C(=C1N)O)Br)Cl
InChI
InChI=1S/C6H5BrClNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2
InChIKey
ISKCLWHHJKNMKI-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

220.9243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93158 133.9
[M+Na]+ 243.91352 147.8
[M-H]- 219.91702 139.2
[M+NH4]+ 238.95812 156.1
[M+K]+ 259.88746 134.3
[M+H-H2O]+ 203.92156 135.2
[M+HCOO]- 265.92250 151.4
[M+CH3COO]- 279.93815 183.6
[M+Na-2H]- 241.89897 140.7
[M]+ 220.92375 151.9
[M]- 220.92485 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

literature stripe

Patent stripe

patents stripe