CID 70272

4-chloro-n-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CNC1=CC=C(C=C1)Cl
InChI
InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
XCEYKKJMLOFDSS-UHFFFAOYSA-N
Compound name
4-chloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

2111
Patents

141.03453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.9
[M+Na]+ 164.02375 134.0
[M-H]- 140.02725 128.8
[M+NH4]+ 159.06835 147.3
[M+K]+ 179.99769 130.5
[M+H-H2O]+ 124.03179 120.5
[M+HCOO]- 186.03273 146.5
[M+CH3COO]- 200.04838 175.1
[M+Na-2H]- 162.00920 133.3
[M]+ 141.03398 125.6
[M]- 141.03508 125.6
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