CID 5813429

Nsc607738

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(N3)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O2/c17-16(18)8-7-11-9-13-12-4-2-1-3-10(12)5-6-14(13)15-11/h1-9,15H/b8-7+
InChIKey
WFXDYOURHAEHLJ-BQYQJAHWSA-N
Compound name
2-[(E)-2-nitroethenyl]-3H-benzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 149.7
[M+Na]+ 261.06345 158.6
[M-H]- 237.06695 153.2
[M+NH4]+ 256.10805 168.5
[M+K]+ 277.03739 148.8
[M+H-H2O]+ 221.07149 147.5
[M+HCOO]- 283.07243 172.9
[M+CH3COO]- 297.08808 183.3
[M+Na-2H]- 259.04890 159.3
[M]+ 238.07368 148.6
[M]- 238.07478 148.6
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.