CID 26246

Aniline, 3-chloro-4-(octyloxy)-

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C14H22ClNO/c1-2-3-4-5-6-7-10-17-14-9-8-12(16)11-13(14)15/h8-9,11H,2-7,10,16H2,1H3
InChIKey
OXSWUIWWQVACTN-UHFFFAOYSA-N
Compound name
3-chloro-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.13899 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 160.8
[M+Na]+ 278.12821 167.9
[M-H]- 254.13171 163.3
[M+NH4]+ 273.17281 178.7
[M+K]+ 294.10215 162.8
[M+H-H2O]+ 238.13625 154.9
[M+HCOO]- 300.13719 179.7
[M+CH3COO]- 314.15284 198.7
[M+Na-2H]- 276.11366 163.5
[M]+ 255.13844 164.9
[M]- 255.13954 164.9
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

patents stripe