CID 15907754

3-chloro-4-(methylamino)benzonitrile

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CNC1=C(C=C(C=C1)C#N)Cl
InChI
InChI=1S/C8H7ClN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKey
MWVIHOPQURQBCL-UHFFFAOYSA-N
Compound name
3-chloro-4-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

166.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 132.2
[M+Na]+ 189.01899 145.5
[M+NH4]+ 184.06359 138.3
[M+K]+ 204.99293 135.3
[M-H]- 165.02249 128.3
[M+Na-2H]- 187.00444 137.6
[M]+ 166.02922 132.5
[M]- 166.03032 132.5
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