CID 15034894

2-chloro-5-sec-hexadecylhydroquinone

Structural Information

Molecular Formula
C22H37ClO2
SMILES
CCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)Cl)O
InChI
InChI=1S/C22H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)19-16-22(25)20(23)17-21(19)24/h16-18,24-25H,3-15H2,1-2H3
InChIKey
BCSYCAJWKGGPRY-UHFFFAOYSA-N
Compound name
2-chloro-5-hexadecan-2-ylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

368.2482 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25548 195.2
[M+Na]+ 391.23742 199.5
[M-H]- 367.24092 194.5
[M+NH4]+ 386.28202 207.9
[M+K]+ 407.21136 192.2
[M+H-H2O]+ 351.24546 189.0
[M+HCOO]- 413.24640 207.3
[M+CH3COO]- 427.26205 217.1
[M+Na-2H]- 389.22287 191.7
[M]+ 368.24765 201.6
[M]- 368.24875 201.6
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