CID 5085595

(4-bromo-2-chloroformylanilino)acetic acid

Structural Information

Molecular Formula
C9H7BrClNO3
SMILES
C1=CC(=C(C=C1Br)Cl)N(CC(=O)O)C=O
InChI
InChI=1S/C9H7BrClNO3/c10-6-1-2-8(7(11)3-6)12(5-13)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKey
GUMKUBKCXHWKLL-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chloro-N-formylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.92978 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93706 148.6
[M+Na]+ 313.91900 160.7
[M-H]- 289.92250 155.2
[M+NH4]+ 308.96360 168.4
[M+K]+ 329.89294 148.6
[M+H-H2O]+ 273.92704 148.8
[M+HCOO]- 335.92798 166.2
[M+CH3COO]- 349.94363 197.8
[M+Na-2H]- 311.90445 154.0
[M]+ 290.92923 170.4
[M]- 290.93033 170.4
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.