CID 108396446

Ethyl 2-amino-2-(4-bromo-3-chlorophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C10H11BrClNO2
SMILES
CCOC(=O)C(C1=CC(=C(C=C1)Br)Cl)N
InChI
InChI=1S/C10H11BrClNO2/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9H,2,13H2,1H3
InChIKey
IEJKZJHXARLEMU-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-(4-bromo-3-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.96616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.97344 153.9
[M+Na]+ 313.95538 165.5
[M-H]- 289.95888 159.8
[M+NH4]+ 308.99998 173.7
[M+K]+ 329.92932 152.8
[M+H-H2O]+ 273.96342 154.0
[M+HCOO]- 335.96436 170.2
[M+CH3COO]- 349.98001 198.3
[M+Na-2H]- 311.94083 157.5
[M]+ 290.96561 174.2
[M]- 290.96671 174.2
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.