CID 177800918

6-chloro-n1,5-dimethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC1=C(C(=C(C=C1)N)NC)Cl
InChI
InChI=1S/C8H11ClN2/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4,11H,10H2,1-2H3
InChIKey
LTAJPPGBDIUQPR-UHFFFAOYSA-N
Compound name
3-chloro-2-N,4-dimethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.5
[M-H]- 169.053804 138.6
[M+NH4]+ 188.094903 156.0
[M+K]+ 209.024238 140.3
[M+H-H2O]+ 153.058340 130.2
[M+HCOO]- 215.059281 156.4
[M+CH3COO]- 229.074931 184.6
[M+Na-2H]- 191.035746 140.2
[M]+ 170.06053142 134.9
[M]- 170.06162858 134.9
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

No patent data available for this compound.