CID 53416587

4-amino-3-chloro-5-methylphenol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=CC(=C1N)Cl)O
InChI
InChI=1S/C7H8ClNO/c1-4-2-5(10)3-6(8)7(4)9/h2-3,10H,9H2,1H3
InChIKey
FLEPGUUHMXHJDV-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

157.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.4
[M+Na]+ 180.01865 141.2
[M+NH4]+ 175.06325 136.7
[M+K]+ 195.99259 134.8
[M-H]- 156.02215 130.2
[M+Na-2H]- 178.00410 134.4
[M]+ 157.02888 130.4
[M]- 157.02998 130.4
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

patents stripe