CID 20225571

4-amino-2-chloro-5-methylphenol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 128.5
[M+Na]+ 180.018648 139.1
[M-H]- 156.022154 131.3
[M+NH4]+ 175.063253 149.9
[M+K]+ 195.992588 134.9
[M+H-H2O]+ 140.026690 124.8
[M+HCOO]- 202.027631 148.2
[M+CH3COO]- 216.043281 176.1
[M+Na-2H]- 178.004096 133.9
[M]+ 157.02888142 128.6
[M]- 157.02997858 128.6
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