CID 360945

Nsc623659

Structural Information

Molecular Formula
C17H24ClNO2Se
SMILES
CC(C)(C)C1CCC(CC1)(C[Se]C2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H24ClNO2Se/c1-16(2,3)13-8-10-17(11-9-13,19(20)21)12-22-15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKey
RXMHFROHJZSWHT-UHFFFAOYSA-N
Compound name
1-[(4-tert-butyl-1-nitrocyclohexyl)methylselanyl]-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07335 190.7
[M+Na]+ 412.05529 194.3
[M-H]- 388.05879 195.5
[M+NH4]+ 407.09989 206.1
[M+K]+ 428.02923 185.4
[M+H-H2O]+ 372.06333 188.7
[M+HCOO]- 434.06427 203.7
[M+CH3COO]- 448.07992 204.0
[M+Na-2H]- 410.04074 193.5
[M]+ 389.06552 188.5
[M]- 389.06662 188.5
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.