CID 2063963

2-chloro-n-(2,6-dibromo-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H8Br2ClNO
SMILES
CC1=CC(=C(C(=C1)Br)NC(=O)CCl)Br
InChI
InChI=1S/C9H8Br2ClNO/c1-5-2-6(10)9(7(11)3-5)13-8(14)4-12/h2-3H,4H2,1H3,(H,13,14)
InChIKey
MVANPTOKDQBBEW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

338.86612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.87340 148.7
[M+Na]+ 361.85534 160.7
[M-H]- 337.85884 155.6
[M+NH4]+ 356.89994 167.3
[M+K]+ 377.82928 142.9
[M+H-H2O]+ 321.86338 156.4
[M+HCOO]- 383.86432 161.6
[M+CH3COO]- 397.87997 210.0
[M+Na-2H]- 359.84079 154.1
[M]+ 338.86557 183.9
[M]- 338.86667 183.9
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