CID 3049247

Brn 2111206

Structural Information

Molecular Formula
C14H14ClN
SMILES
CC1=CC=CC=C1NC2=C(C=C(C=C2)Cl)C
InChI
InChI=1S/C14H14ClN/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9,16H,1-2H3
InChIKey
MMFQRYSDRBWYMJ-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-N-(2-methylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08148 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 150.9
[M+Na]+ 254.07070 167.6
[M+NH4]+ 249.11530 161.4
[M+K]+ 270.04464 157.9
[M-H]- 230.07420 157.5
[M+Na-2H]- 252.05615 161.8
[M]+ 231.08093 155.7
[M]- 231.08203 155.7
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.