CID 53417324

3-amino-2-chlorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

152.01413 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe