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]+ 199.09966 142.7
[M+Na]+ 221.08160 155.4
[M+NH4]+ 216.12620 152.1
[M+K]+ 237.05554 148.1
[M-H]- 197.08510 146.8
[M+Na-2H]- 219.06705 150.0
[M]+ 198.09183 145.9
[M]- 198.09293 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.