CID 4322955

3859-25-4

Structural Information

Molecular Formula
C22H38FNO3S
SMILES
CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)F)N
InChI
InChI=1S/C22H38FNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-22-17-16-20(19-21(22)24)28(23,25)26/h16-17,19H,2-15,18,24H2,1H3
InChIKey
KIIZPRYXOQJBPA-UHFFFAOYSA-N
Compound name
3-amino-4-hexadecoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25565 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26293 202.9
[M+Na]+ 438.24487 206.1
[M-H]- 414.24837 202.6
[M+NH4]+ 433.28947 213.5
[M+K]+ 454.21881 199.8
[M+H-H2O]+ 398.25291 193.5
[M+HCOO]- 460.25385 216.5
[M+CH3COO]- 474.26950 228.0
[M+Na-2H]- 436.23032 199.9
[M]+ 415.25510 209.7
[M]- 415.25620 209.7
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