CID 532270

N-(4-bromophenyl)-2-chloropropanamide

Structural Information

Molecular Formula
C9H9BrClNO
SMILES
CC(C(=O)NC1=CC=C(C=C1)Br)Cl
InChI
InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
InChIKey
XUBDXLHGPBQDQM-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9556 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 146.5
[M+Na]+ 283.94482 157.8
[M-H]- 259.94832 152.7
[M+NH4]+ 278.98942 167.5
[M+K]+ 299.91876 145.2
[M+H-H2O]+ 243.95286 147.0
[M+HCOO]- 305.95380 163.5
[M+CH3COO]- 319.96945 193.1
[M+Na-2H]- 281.93027 152.4
[M]+ 260.95505 165.8
[M]- 260.95615 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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