CID 81308

5-chloro-1,3,3-trimethyl-2-methyleneindoline

Structural Information

Molecular Formula
C12H14ClN
SMILES
CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C
InChI
InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
InChIKey
VDMXGJJMPKAYQP-UHFFFAOYSA-N
Compound name
5-chloro-1,3,3-trimethyl-2-methylideneindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

223
Patents

207.08148 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 143.1
[M+Na]+ 230.07070 155.4
[M-H]- 206.07420 147.1
[M+NH4]+ 225.11530 167.5
[M+K]+ 246.04464 149.8
[M+H-H2O]+ 190.07874 138.7
[M+HCOO]- 252.07968 160.2
[M+CH3COO]- 266.09533 187.8
[M+Na-2H]- 228.05615 147.2
[M]+ 207.08093 145.6
[M]- 207.08203 145.6
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