CID 363703

Nsc628825

Structural Information

Molecular Formula
C19H12O2S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5S(=O)O4
InChI
InChI=1S/C19H12O2S/c20-22-18-12-6-5-11-17(18)19(21-22)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-12H
InChIKey
ZGXFNWWJABTEQP-UHFFFAOYSA-N
Compound name
spiro[2,1lambda4-benzoxathiole-3,9'-fluorene] 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06308 167.2
[M+Na]+ 327.04502 180.5
[M-H]- 303.04852 178.0
[M+NH4]+ 322.08962 191.1
[M+K]+ 343.01896 175.3
[M+H-H2O]+ 287.05306 162.5
[M+HCOO]- 349.05400 184.7
[M+CH3COO]- 363.06965 181.2
[M+Na-2H]- 325.03047 172.4
[M]+ 304.05525 172.6
[M]- 304.05635 172.6
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

No patent data available for this compound.