CID 45081538

2,3-dihydro-1h-isoindole-2-carbonyl chloride

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1C2=CC=CC=C2CN1C(=O)Cl
InChI
InChI=1S/C9H8ClNO/c10-9(12)11-5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2
InChIKey
ULBYXUAYQUKEEA-UHFFFAOYSA-N
Compound name
1,3-dihydroisoindole-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

181.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 135.8
[M+Na]+ 204.01865 145.4
[M-H]- 180.02215 139.0
[M+NH4]+ 199.06325 158.3
[M+K]+ 219.99259 141.5
[M+H-H2O]+ 164.02669 130.4
[M+HCOO]- 226.02763 153.1
[M+CH3COO]- 240.04328 178.0
[M+Na-2H]- 202.00410 141.2
[M]+ 181.02888 136.7
[M]- 181.02998 136.7
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

patents stripe