CID 13636475

(3-amino-4-chlorophenyl)methanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC(=C(C=C1CO)N)Cl
InChI
InChI=1S/C7H8ClNO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4,9H2
InChIKey
XKGOGOLMEYUITI-UHFFFAOYSA-N
Compound name
(3-amino-4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

157.02943 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe