CID 216180

37153-36-9

Structural Information

Molecular Formula
C8H10BrClN2O
SMILES
C1=C(C=C(C(=C1Cl)N)Br)C(CN)O
InChI
InChI=1S/C8H10BrClN2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2
InChIKey
LTBNPJVAOXHZIG-UHFFFAOYSA-N
Compound name
2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

263.9665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.97378 148.6
[M+Na]+ 286.95572 160.4
[M-H]- 262.95922 152.9
[M+NH4]+ 282.00032 168.3
[M+K]+ 302.92966 146.2
[M+H-H2O]+ 246.96376 148.6
[M+HCOO]- 308.96470 164.8
[M+CH3COO]- 322.98035 194.4
[M+Na-2H]- 284.94117 152.2
[M]+ 263.96595 164.9
[M]- 263.96705 164.9
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