CID 6894

3-chloro-2-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=C(C=CC=C1Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKey
ZUVPLKVDZNDZCM-UHFFFAOYSA-N
Compound name
3-chloro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

2216
Patents

141.03453 Da
Monoisotopic Mass

3.0
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