CID 597959

1h-isoindole

Structural Information

Molecular Formula
C8H7N
SMILES
C1C2=CC=CC=C2C=N1
InChI
InChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2
InChIKey
LFHLEABTNIQIQO-UHFFFAOYSA-N
Compound name
1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3899
Patents

117.057846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.065122 119.5
[M+Na]+ 140.047064 128.9
[M-H]- 116.050570 123.0
[M+NH4]+ 135.091669 143.6
[M+K]+ 156.021004 126.6
[M+H-H2O]+ 100.055106 113.6
[M+HCOO]- 162.056047 143.9
[M+CH3COO]- 176.071697 134.7
[M+Na-2H]- 138.032512 129.0
[M]+ 117.05729742 119.2
[M]- 117.05839458 119.2
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