CID 368367

Nsc639227

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C=CCONC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-2-7-14-12-10(13)8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)
InChIKey
XTTNZKZAYWTOQF-UHFFFAOYSA-N
Compound name
4-chloro-N-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 143.0
[M+Na]+ 234.02923 151.2
[M-H]- 210.03273 146.6
[M+NH4]+ 229.07383 162.4
[M+K]+ 250.00317 147.2
[M+H-H2O]+ 194.03727 137.8
[M+HCOO]- 256.03821 163.6
[M+CH3COO]- 270.05386 186.6
[M+Na-2H]- 232.01468 148.5
[M]+ 211.03946 145.7
[M]- 211.04056 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.