CID 384673

Nsc674717

Structural Information

Molecular Formula
C17H12FNO2
SMILES
CC1=CC2=C(C=C1)OCC3=C(C2=O)NC4=C3C=C(C=C4)F
InChI
InChI=1S/C17H12FNO2/c1-9-2-5-15-12(6-9)17(20)16-13(8-21-15)11-7-10(18)3-4-14(11)19-16/h2-7,19H,8H2,1H3
InChIKey
BAYSZDQDPOLPTP-UHFFFAOYSA-N
Compound name
8-fluoro-2-methyl-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09248 159.3
[M+Na]+ 304.07442 171.0
[M-H]- 280.07792 165.4
[M+NH4]+ 299.11902 176.9
[M+K]+ 320.04836 168.9
[M+H-H2O]+ 264.08246 153.9
[M+HCOO]- 326.08340 177.0
[M+CH3COO]- 340.09905 171.9
[M+Na-2H]- 302.05987 165.2
[M]+ 281.08465 158.7
[M]- 281.08575 158.7
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.