CID 105282

Benzoyl chloride, 4-(hexadecylamino)-

Structural Information

Molecular Formula
C23H38ClNO
SMILES
CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-22-18-16-21(17-19-22)23(24)26/h16-19,25H,2-15,20H2,1H3
InChIKey
PTHLFCDJLPZHJW-UHFFFAOYSA-N
Compound name
4-(hexadecylamino)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

379.2642 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.27148 200.7
[M+Na]+ 402.25342 202.9
[M-H]- 378.25692 201.6
[M+NH4]+ 397.29802 213.2
[M+K]+ 418.22736 195.7
[M+H-H2O]+ 362.26146 192.8
[M+HCOO]- 424.26240 216.4
[M+CH3COO]- 438.27805 224.9
[M+Na-2H]- 400.23887 199.1
[M]+ 379.26365 207.4
[M]- 379.26475 207.4
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