CID 4374440

2,2,5,7,8-pentamethyl-chromane-6-sulfonyl chloride

Structural Information

Molecular Formula
C14H19ClO3S
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C14H19ClO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3
InChIKey
UXUOVYKDMGFUDU-UHFFFAOYSA-N
Compound name
2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

302.07434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08162 160.2
[M+Na]+ 325.06356 171.5
[M-H]- 301.06706 166.4
[M+NH4]+ 320.10816 179.7
[M+K]+ 341.03750 168.2
[M+H-H2O]+ 285.07160 157.0
[M+HCOO]- 347.07254 169.1
[M+CH3COO]- 361.08819 202.5
[M+Na-2H]- 323.04901 164.4
[M]+ 302.07379 167.6
[M]- 302.07489 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe