CID 12402978

2-chlorobenzene-1,3-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

142.02977 Da
Monoisotopic Mass

1.6
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

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