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

24
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

No literature data available for this compound.

Patent stripe

patents stripe