CID 67222

Benz[cd]indol-2(1h)-one

Structural Information

Molecular Formula
C11H7NO
SMILES
C1=CC2=C3C(=C1)C(=O)NC3=CC=C2
InChI
InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKey
GPYLCFQEKPUWLD-UHFFFAOYSA-N
Compound name
1H-benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

3170
Patents

169.05276 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.060036 132.3
[M+Na]+ 192.041978 142.4
[M-H]- 168.045484 135.0
[M+NH4]+ 187.086583 155.2
[M+K]+ 208.015918 137.8
[M+H-H2O]+ 152.050020 126.6
[M+HCOO]- 214.050961 153.1
[M+CH3COO]- 228.066611 146.3
[M+Na-2H]- 190.027426 140.7
[M]+ 169.05221142 132.0
[M]- 169.05330858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe