CID 6435341

Brn 5972477

Structural Information

Molecular Formula
C17H12ClN2OSe
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/N=C2[Se]
InChI
InChI=1S/C17H12ClN2OSe/c1-11-5-7-14(8-6-11)20-16(21)15(19-17(20)22)10-12-3-2-4-13(18)9-12/h2-10H,1H3/b15-10-
InChIKey
NXUIGCXDYHEDJN-GDNBJRDFSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.98035 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.98763 184.5
[M+Na]+ 397.96957 195.0
[M-H]- 373.97307 191.6
[M+NH4]+ 393.01417 198.8
[M+K]+ 413.94351 186.9
[M+H-H2O]+ 357.97761 174.7
[M+HCOO]- 419.97855 200.6
[M+CH3COO]- 433.99420 195.4
[M+Na-2H]- 395.95502 183.4
[M]+ 374.97980 186.6
[M]- 374.98090 186.6
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.