CID 68787701

2-chloro-n1,n3-dimethylbenzene-1,3-diamine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CNC1=C(C(=CC=C1)NC)Cl
InChI
InChI=1S/C8H11ClN2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,10-11H,1-2H3
InChIKey
JCQOUSISYGYBGO-UHFFFAOYSA-N
Compound name
2-chloro-1-N,3-N-dimethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.06108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 134.2
[M+Na]+ 193.05030 143.0
[M-H]- 169.05380 138.2
[M+NH4]+ 188.09490 155.5
[M+K]+ 209.02424 139.2
[M+H-H2O]+ 153.05834 129.4
[M+HCOO]- 215.05928 156.5
[M+CH3COO]- 229.07493 184.1
[M+Na-2H]- 191.03575 141.5
[M]+ 170.06053 135.0
[M]- 170.06163 135.0
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