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 150.3
[M+Na]+ 254.07070 159.8
[M-H]- 230.07420 157.4
[M+NH4]+ 249.11530 169.4
[M+K]+ 270.04464 154.0
[M+H-H2O]+ 214.07874 144.1
[M+HCOO]- 276.07968 171.2
[M+CH3COO]- 290.09533 194.0
[M+Na-2H]- 252.05615 156.1
[M]+ 231.08093 152.1
[M]- 231.08203 152.1
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.