CID 117694

5-chloro-2,3,3-trimethyl-3h-indole

Structural Information

Molecular Formula
C11H12ClN
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKey
GSKATGIMEUGNJN-UHFFFAOYSA-N
Compound name
5-chloro-2,3,3-trimethylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

193.06583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07311 138.6
[M+Na]+ 216.05505 151.2
[M-H]- 192.05855 142.8
[M+NH4]+ 211.09965 163.5
[M+K]+ 232.02899 146.3
[M+H-H2O]+ 176.06309 134.0
[M+HCOO]- 238.06403 157.3
[M+CH3COO]- 252.07968 153.6
[M+Na-2H]- 214.04050 144.9
[M]+ 193.06528 142.6
[M]- 193.06638 142.6
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

No patent data available for this compound.