CID 18451501

2-chloro-4-cyclohexylaniline

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CCC(CC1)C2=CC(=C(C=C2)N)Cl
InChI
InChI=1S/C12H16ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKey
IKCSQPICSCUVTM-UHFFFAOYSA-N
Compound name
2-chloro-4-cyclohexylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.09712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.104396 146.7
[M+Na]+ 232.086338 153.0
[M-H]- 208.089844 152.2
[M+NH4]+ 227.130943 165.9
[M+K]+ 248.060278 147.9
[M+H-H2O]+ 192.094380 140.8
[M+HCOO]- 254.095321 163.3
[M+CH3COO]- 268.110971 187.2
[M+Na-2H]- 230.071786 150.2
[M]+ 209.09657142 142.0
[M]- 209.09766858 142.0
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