CID 2851061

3-(2,2-dichloroethenyl)-2,2-dimethyl-n-phenylcyclopropane-1-carboxamide

Structural Information

Molecular Formula
C14H15Cl2NO
SMILES
CC1(C(C1C(=O)NC2=CC=CC=C2)C=C(Cl)Cl)C
InChI
InChI=1S/C14H15Cl2NO/c1-14(2)10(8-11(15)16)12(14)13(18)17-9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,17,18)
InChIKey
AIBJZTYMMVHZAR-UHFFFAOYSA-N
Compound name
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

283.05307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.060346 154.7
[M+Na]+ 306.042288 164.3
[M-H]- 282.045794 161.4
[M+NH4]+ 301.086893 169.0
[M+K]+ 322.016228 158.3
[M+H-H2O]+ 266.050330 150.7
[M+HCOO]- 328.051271 168.3
[M+CH3COO]- 342.066921 202.8
[M+Na-2H]- 304.027736 157.6
[M]+ 283.05252142 159.7
[M]- 283.05361858 159.7
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