CID 80180

3-chloro-4-(dimethylamino)benzenamine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CN(C)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3
InChIKey
AMQHNJUMJKWREE-UHFFFAOYSA-N
Compound name
2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

170.06108 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 134.7
[M+Na]+ 193.050298 143.6
[M-H]- 169.053804 139.7
[M+NH4]+ 188.094903 156.3
[M+K]+ 209.024238 140.9
[M+H-H2O]+ 153.058340 129.7
[M+HCOO]- 215.059281 156.9
[M+CH3COO]- 229.074931 186.9
[M+Na-2H]- 191.035746 140.1
[M]+ 170.06053142 135.7
[M]- 170.06162858 135.7
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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