CID 22390768

117086-91-6

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CN(C2=CC=CC=C21)C(=O)Cl
InChI
InChI=1S/C9H8ClNO/c10-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKey
BHVDNQHSQZMQMJ-UHFFFAOYSA-N
Compound name
2,3-dihydroindole-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

181.02943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 135.8
[M+Na]+ 204.018648 145.4
[M-H]- 180.022154 139.0
[M+NH4]+ 199.063253 158.3
[M+K]+ 219.992588 141.5
[M+H-H2O]+ 164.026690 130.4
[M+HCOO]- 226.027631 153.1
[M+CH3COO]- 240.043281 178.0
[M+Na-2H]- 202.004096 141.2
[M]+ 181.02888142 136.7
[M]- 181.02997858 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