CID 112706

63665-80-5

Structural Information

Molecular Formula
C20H15ClNS
SMILES
C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C4=CC=CC=C4)Cl
InChI
InChI=1S/C20H15ClNS/c1-22-19(13-17(21)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)22/h2-13H,1H3/q+1
InChIKey
ULQFZJFNFQDBRF-UHFFFAOYSA-N
Compound name
2-(2-chloro-2-phenylethenyl)-1-methylbenzo[e][1,3]benzothiazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06137 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06865 179.2
[M+Na]+ 359.05059 190.5
[M-H]- 335.05409 187.3
[M+NH4]+ 354.09519 196.8
[M+K]+ 375.02453 176.7
[M+H-H2O]+ 319.05863 174.9
[M+HCOO]- 381.05957 191.3
[M+CH3COO]- 395.07522 190.7
[M+Na-2H]- 357.03604 183.7
[M]+ 336.06082 183.7
[M]- 336.06192 183.7
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

No patent data available for this compound.