CID 4931

Propachlor

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C)N(C1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
MFOUDYKPLGXPGO-UHFFFAOYSA-N
Compound name
2-chloro-N-phenyl-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

75
References

28994
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.1
[M+Na]+ 234.06561 152.6
[M-H]- 210.06911 150.8
[M+NH4]+ 229.11021 166.0
[M+K]+ 250.03955 150.3
[M+H-H2O]+ 194.07365 140.6
[M+HCOO]- 256.07459 165.5
[M+CH3COO]- 270.09024 191.7
[M+Na-2H]- 232.05106 149.8
[M]+ 211.07584 148.8
[M]- 211.07694 148.8
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