CID 23210387

3-chloro-4-methoxybenzamide

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
COC1=C(C=C(C=C1)C(=O)N)Cl
InChI
InChI=1S/C8H8ClNO2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H2,10,11)
InChIKey
LDYSKQBCMXRUGA-UHFFFAOYSA-N
Compound name
3-chloro-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

185.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 134.6
[M+Na]+ 208.013568 144.3
[M-H]- 184.017074 138.4
[M+NH4]+ 203.058173 155.2
[M+K]+ 223.987508 141.1
[M+H-H2O]+ 168.021610 130.1
[M+HCOO]- 230.022551 155.1
[M+CH3COO]- 244.038201 182.6
[M+Na-2H]- 205.999016 139.5
[M]+ 185.02380142 136.8
[M]- 185.02489858 136.8
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

patents stripe