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

86
Patents

193.06583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.073106 138.6
[M+Na]+ 216.055048 151.2
[M-H]- 192.058554 142.8
[M+NH4]+ 211.099653 163.5
[M+K]+ 232.028988 146.3
[M+H-H2O]+ 176.063090 134.0
[M+HCOO]- 238.064031 157.3
[M+CH3COO]- 252.079681 153.6
[M+Na-2H]- 214.040496 144.9
[M]+ 193.06528142 142.6
[M]- 193.06637858 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

literature stripe

Patent stripe

patents stripe