CID 2735745

89659-68-7

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CC(C)NC1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C9H13ClN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3
InChIKey
JZZYUYHBBMUCEY-UHFFFAOYSA-N
Compound name
4-chloro-1-N-propan-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.07672 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 139.8
[M+Na]+ 207.065938 147.9
[M-H]- 183.069444 143.2
[M+NH4]+ 202.110543 160.1
[M+K]+ 223.039878 144.0
[M+H-H2O]+ 167.073980 134.9
[M+HCOO]- 229.074921 160.2
[M+CH3COO]- 243.090571 187.4
[M+Na-2H]- 205.051386 144.2
[M]+ 184.07617142 139.3
[M]- 184.07726858 139.3
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