CID 4655387

5376-78-3

Structural Information

Molecular Formula
C23H36ClFO4S
SMILES
CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)Cl
InChI
InChI=1S/C23H36ClFO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(25,27)28)19-21(22)23(24)26/h16-17,19H,2-15,18H2,1H3
InChIKey
ZNLPDKJASGHDSQ-UHFFFAOYSA-N
Compound name
5-fluorosulfonyl-2-hexadecoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

462.20068 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.20796 210.2
[M+Na]+ 485.18990 214.4
[M-H]- 461.19340 210.8
[M+NH4]+ 480.23450 220.3
[M+K]+ 501.16384 207.3
[M+H-H2O]+ 445.19794 202.1
[M+HCOO]- 507.19888 218.2
[M+CH3COO]- 521.21453 231.8
[M+Na-2H]- 483.17535 206.2
[M]+ 462.20013 221.5
[M]- 462.20123 221.5
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