CID 21209

4-chlorobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
C1=CC(=C(C=C1N)N)Cl
InChI
InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
InChIKey
ZWUBBMDHSZDNTA-UHFFFAOYSA-N
Compound name
4-chlorobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

3506
Patents

142.02977 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.0
[M+Na]+ 165.01899 137.0
[M+NH4]+ 160.06359 133.7
[M+K]+ 180.99293 130.5
[M-H]- 141.02249 127.8
[M+Na-2H]- 163.00444 131.7
[M]+ 142.02922 127.1
[M]- 142.03032 127.1
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