CID 3726629

2-chloro-n-(2,4,6-tribromophenyl)acetamide

Structural Information

Molecular Formula
C8H5Br3ClNO
SMILES
C1=C(C=C(C(=C1Br)NC(=O)CCl)Br)Br
InChI
InChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14)
InChIKey
SDQSCWQZOOIZAF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4,6-tribromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.761 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe