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]+ 183.03197 136.3
[M+Na]+ 205.01391 147.9
[M-H]- 181.01741 140.0
[M+NH4]+ 200.05851 155.2
[M+K]+ 220.98785 143.8
[M+H-H2O]+ 165.02195 125.2
[M+HCOO]- 227.02289 154.5
[M+CH3COO]- 241.03854 194.6
[M+Na-2H]- 202.99936 142.8
[M]+ 182.02414 133.9
[M]- 182.02524 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.