CID 3049738

Naphtho(1,2-b)thiopyrylium, 5,6-dihydro-2,4-diphenyl-, salt with trifluoroacetic acid (1:1)

Structural Information

Molecular Formula
C25H19S
SMILES
C1CC2=C(C3=CC=CC=C31)[S+]=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H19S/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25/h1-14,17H,15-16H2/q+1
InChIKey
MPRXIECQHVVELG-UHFFFAOYSA-N
Compound name
2,4-diphenyl-5,6-dihydrobenzo[h]thiochromen-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12804 185.3
[M+Na]+ 374.10998 192.7
[M-H]- 350.11348 196.1
[M+NH4]+ 369.15458 199.6
[M+K]+ 390.08392 179.0
[M+H-H2O]+ 334.11802 177.9
[M+HCOO]- 396.11896 199.8
[M+CH3COO]- 410.13461 195.0
[M+Na-2H]- 372.09543 191.9
[M]+ 351.12021 183.3
[M]- 351.12131 183.3
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.