CID 54806448

[(3-chloro-4-methoxyphenyl)amino]carbonitrile

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
COC1=C(C=C(C=C1)NC#N)Cl
InChI
InChI=1S/C8H7ClN2O/c1-12-8-3-2-6(11-5-10)4-7(8)9/h2-4,11H,1H3
InChIKey
CKJVUZBCKFOFFO-UHFFFAOYSA-N
Compound name
(3-chloro-4-methoxyphenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 136.3
[M+Na]+ 205.013908 147.9
[M-H]- 181.017414 140.0
[M+NH4]+ 200.058513 155.2
[M+K]+ 220.987848 143.8
[M+H-H2O]+ 165.021950 125.2
[M+HCOO]- 227.022891 154.5
[M+CH3COO]- 241.038541 194.6
[M+Na-2H]- 202.999356 142.8
[M]+ 182.02414142 133.9
[M]- 182.02523858 133.9
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.