CID 47002513

1376321-39-9

Structural Information

Molecular Formula
C10H12ClN
SMILES
CC1(CNC2=C1C(=CC=C2)Cl)C
InChI
InChI=1S/C10H12ClN/c1-10(2)6-12-8-5-3-4-7(11)9(8)10/h3-5,12H,6H2,1-2H3
InChIKey
LMZKHSQQRCFDCU-UHFFFAOYSA-N
Compound name
4-chloro-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

181.06583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 137.3
[M+Na]+ 204.055048 148.0
[M-H]- 180.058554 139.5
[M+NH4]+ 199.099653 161.5
[M+K]+ 220.028988 142.5
[M+H-H2O]+ 164.063090 132.8
[M+HCOO]- 226.064031 153.4
[M+CH3COO]- 240.079681 151.0
[M+Na-2H]- 202.040496 143.2
[M]+ 181.06528142 137.2
[M]- 181.06637858 137.2
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