CID 264646

2-chloro-n-phenylpropanamide

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC(C(=O)NC1=CC=CC=C1)Cl
InChI
InChI=1S/C9H10ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKey
BWWXKHHVIAJJFM-UHFFFAOYSA-N
Compound name
2-chloro-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

152
Patents

183.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 137.2
[M+Na]+ 206.03431 144.4
[M-H]- 182.03781 140.7
[M+NH4]+ 201.07891 157.5
[M+K]+ 222.00825 141.2
[M+H-H2O]+ 166.04235 132.2
[M+HCOO]- 228.04329 156.7
[M+CH3COO]- 242.05894 182.1
[M+Na-2H]- 204.01976 142.7
[M]+ 183.04454 137.8
[M]- 183.04564 137.8
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