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

12
Patents

209.09712 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 146.7
[M+Na]+ 232.08634 153.0
[M-H]- 208.08984 152.2
[M+NH4]+ 227.13094 165.9
[M+K]+ 248.06028 147.9
[M+H-H2O]+ 192.09438 140.8
[M+HCOO]- 254.09532 163.3
[M+CH3COO]- 268.11097 187.2
[M+Na-2H]- 230.07179 150.2
[M]+ 209.09657 142.0
[M]- 209.09767 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