CID 12198266

5-chloro-n1-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CNC1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C7H9ClN2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,9H2,1H3
InChIKey
BTKCZOYKZRSPOQ-UHFFFAOYSA-N
Compound name
4-chloro-2-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

156.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.6
[M+Na]+ 179.03465 141.8
[M+NH4]+ 174.07925 138.3
[M+K]+ 195.00859 134.7
[M-H]- 155.03815 132.6
[M+Na-2H]- 177.02010 136.5
[M]+ 156.04488 131.8
[M]- 156.04598 131.8
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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