CID 6435387

Brn 5950138

Structural Information

Molecular Formula
C11H8ClN2OSe
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/N=C1[Se]
InChI
InChI=1S/C11H8ClN2OSe/c1-14-10(15)9(13-11(14)16)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
InChIKey
ZXPRGYFMTPGYFQ-TWGQIWQCSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.94904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95632 162.3
[M+Na]+ 321.93826 173.3
[M-H]- 297.94176 166.4
[M+NH4]+ 316.98286 180.0
[M+K]+ 337.91220 167.2
[M+H-H2O]+ 281.94630 154.4
[M+HCOO]- 343.94724 179.2
[M+CH3COO]- 357.96289 191.9
[M+Na-2H]- 319.92371 163.0
[M]+ 298.94849 164.4
[M]- 298.94959 164.4
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.