CID 586754

(2-amino-5-chlorophenyl)methanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC(=C(C=C1Cl)CO)N
InChI
InChI=1S/C7H8ClNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
InChIKey
CLKBZWDZDVOIGJ-UHFFFAOYSA-N
Compound name
(2-amino-5-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

419
Patents

157.02943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.6
[M+Na]+ 180.01865 141.0
[M+NH4]+ 175.06325 136.9
[M+K]+ 195.99259 134.4
[M-H]- 156.02215 130.3
[M+Na-2H]- 178.00410 134.9
[M]+ 157.02888 130.5
[M]- 157.02998 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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