CID 586754

37585-25-4

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

461
Patents

157.02943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 128.7
[M+Na]+ 180.018648 138.4
[M-H]- 156.022154 131.1
[M+NH4]+ 175.063253 149.8
[M+K]+ 195.992588 134.1
[M+H-H2O]+ 140.026690 124.7
[M+HCOO]- 202.027631 148.5
[M+CH3COO]- 216.043281 174.9
[M+Na-2H]- 178.004096 134.8
[M]+ 157.02888142 128.4
[M]- 157.02997858 128.4
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