CID 104524

2-amino-4-chloro-5-methylphenol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=C(C=C1Cl)N)O
InChI
InChI=1S/C7H8ClNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3
InChIKey
QDGJHZNOQSIFAT-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
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 128.5
[M+Na]+ 180.01865 139.1
[M-H]- 156.02215 131.3
[M+NH4]+ 175.06325 149.9
[M+K]+ 195.99259 134.9
[M+H-H2O]+ 140.02669 124.8
[M+HCOO]- 202.02763 148.2
[M+CH3COO]- 216.04328 176.1
[M+Na-2H]- 178.00410 133.9
[M]+ 157.02888 128.6
[M]- 157.02998 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