CID 1390056

Benz(f)isoindoline, 2-ethyl-, hydrobromide

Structural Information

Molecular Formula
C14H15N
SMILES
CCN1CC2=CC3=CC=CC=C3C=C2C1
InChI
InChI=1S/C14H15N/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15/h3-8H,2,9-10H2,1H3
InChIKey
FNGJFVQVJHHPHY-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-dihydrobenzo[f]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.5
[M+Na]+ 220.10967 152.5
[M-H]- 196.11317 147.6
[M+NH4]+ 215.15427 165.8
[M+K]+ 236.08361 147.9
[M+H-H2O]+ 180.11771 136.8
[M+HCOO]- 242.11865 164.3
[M+CH3COO]- 256.13430 156.8
[M+Na-2H]- 218.09512 150.0
[M]+ 197.11990 143.3
[M]- 197.12100 143.3
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

patents stripe