CID 170059

2-amino-4-chlorobenzonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC(=C(C=C1Cl)N)C#N
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChIKey
UZHALXIAWJOLLR-UHFFFAOYSA-N
Compound name
2-amino-4-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

675
Patents

152.01413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 128.3
[M+Na]+ 175.00335 141.5
[M+NH4]+ 170.04795 134.3
[M+K]+ 190.97729 131.6
[M-H]- 151.00685 124.2
[M+Na-2H]- 172.98880 133.5
[M]+ 152.01358 128.5
[M]- 152.01468 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe