CID 3058193

4-(hexadecylamino)-alpha-(trifluoromethyl)benzenemethanol

Structural Information

Molecular Formula
C24H40F3NO
SMILES
CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(C(F)(F)F)O
InChI
InChI=1S/C24H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-22-18-16-21(17-19-22)23(29)24(25,26)27/h16-19,23,28-29H,2-15,20H2,1H3
InChIKey
RRBUNOMPHPAMJW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(hexadecylamino)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

415.3062 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.31348 208.6
[M+Na]+ 438.29542 209.4
[M-H]- 414.29892 204.1
[M+NH4]+ 433.34002 218.0
[M+K]+ 454.26936 203.0
[M+H-H2O]+ 398.30346 197.5
[M+HCOO]- 460.30440 221.9
[M+CH3COO]- 474.32005 230.3
[M+Na-2H]- 436.28087 205.4
[M]+ 415.30565 208.2
[M]- 415.30675 208.2
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