CID 66770

2-chloro-5-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
HPSCXFOQUFPEPE-UHFFFAOYSA-N
Compound name
2-chloro-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1347
Patents

141.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.1
[M+Na]+ 164.02375 138.6
[M+NH4]+ 159.06835 134.4
[M+K]+ 179.99769 131.2
[M-H]- 140.02725 127.9
[M+Na-2H]- 162.00920 132.5
[M]+ 141.03398 127.6
[M]- 141.03508 127.6
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