CID 3016306

4-chloroindoline

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1CNC2=C1C(=CC=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChIKey
BBHMZHDPVNXFMI-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

153.03453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04181 129.1
[M+Na]+ 176.02375 138.7
[M-H]- 152.02725 130.8
[M+NH4]+ 171.06835 152.0
[M+K]+ 191.99769 133.7
[M+H-H2O]+ 136.03179 124.1
[M+HCOO]- 198.03273 145.7
[M+CH3COO]- 212.04838 142.8
[M+Na-2H]- 174.00920 135.7
[M]+ 153.03398 127.6
[M]- 153.03508 127.6
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