CID 15349051

Mexoryl sl

Structural Information

Molecular Formula
C17H20O4S
SMILES
CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)S(=O)(=O)O)C)C
InChI
InChI=1S/C17H20O4S/c1-16(2)14-8-9-17(16,3)15(18)13(14)10-11-4-6-12(7-5-11)22(19,20)21/h4-7,10,14H,8-9H2,1-3H3,(H,19,20,21)/b13-10+
InChIKey
KKJKXQYVUVWWJP-JLHYYAGUSA-N
Compound name
4-[(E)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10583
Patents

320.10822 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11550 173.6
[M+Na]+ 343.09744 183.8
[M-H]- 319.10094 179.2
[M+NH4]+ 338.14204 197.5
[M+K]+ 359.07138 179.0
[M+H-H2O]+ 303.10548 171.7
[M+HCOO]- 365.10642 187.2
[M+CH3COO]- 379.12207 200.8
[M+Na-2H]- 341.08289 175.8
[M]+ 320.10767 177.9
[M]- 320.10877 177.9
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