CID 209455

Acetanilide, 4'-chloro-2,2',5'-tribromo-

Structural Information

Molecular Formula
C8H5Br3ClNO
SMILES
C1=C(C(=CC(=C1Br)Cl)Br)NC(=O)CBr
InChI
InChI=1S/C8H5Br3ClNO/c9-3-8(14)13-7-2-4(10)6(12)1-5(7)11/h1-2H,3H2,(H,13,14)
InChIKey
XAGLJZRCELXKQW-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,5-dibromo-4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.761 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.76828 149.4
[M+Na]+ 425.75022 158.2
[M-H]- 401.75372 154.9
[M+NH4]+ 420.79482 163.6
[M+K]+ 441.72416 140.8
[M+H-H2O]+ 385.75826 163.5
[M+HCOO]- 447.75920 157.2
[M+CH3COO]- 461.77485 224.6
[M+Na-2H]- 423.73567 153.5
[M]+ 402.76045 190.6
[M]- 402.76155 190.6
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.