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

13
Patents

255.13899 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.146266 160.8
[M+Na]+ 278.128208 167.9
[M-H]- 254.131714 163.3
[M+NH4]+ 273.172813 178.7
[M+K]+ 294.102148 162.8
[M+H-H2O]+ 238.136250 154.9
[M+HCOO]- 300.137191 179.7
[M+CH3COO]- 314.152841 198.7
[M+Na-2H]- 276.113656 163.5
[M]+ 255.13844142 164.9
[M]- 255.13953858 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