CID 7064092

1052547-67-7

Structural Information

Molecular Formula
C10H15ClN2
SMILES
CCN(CC)C1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C10H15ClN2/c1-3-13(4-2)10-6-5-8(11)7-9(10)12/h5-7H,3-4,12H2,1-2H3
InChIKey
ZAGDLEHRMCBYNA-UHFFFAOYSA-N
Compound name
4-chloro-1-N,1-N-diethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09238 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.099656 144.1
[M+Na]+ 221.081598 152.2
[M-H]- 197.085104 148.8
[M+NH4]+ 216.126203 164.6
[M+K]+ 237.055538 148.9
[M+H-H2O]+ 181.089640 138.7
[M+HCOO]- 243.090581 165.6
[M+CH3COO]- 257.106231 193.0
[M+Na-2H]- 219.067046 148.4
[M]+ 198.09183142 145.9
[M]- 198.09292858 145.9
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.