CID 11030024

3-amino-5-chlorobenzonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=C(C=C(C=C1N)Cl)C#N
InChI
InChI=1S/C7H5ClN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
InChIKey
JRBVDAQXMNYPHC-UHFFFAOYSA-N
Compound name
3-amino-5-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

152.01413 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 131.1
[M+Na]+ 175.00335 143.2
[M-H]- 151.00685 134.6
[M+NH4]+ 170.04795 150.9
[M+K]+ 190.97729 138.5
[M+H-H2O]+ 135.01139 120.5
[M+HCOO]- 197.01233 148.8
[M+CH3COO]- 211.02798 189.5
[M+Na-2H]- 172.98880 137.1
[M]+ 152.01358 126.2
[M]- 152.01468 126.2
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