CID 13567962

(5-amino-2-chlorophenyl)methanol

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC(=C(C=C1N)CO)Cl
InChI
InChI=1S/C7H8ClNO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4,9H2
InChIKey
LURSRRLUCSSCHJ-UHFFFAOYSA-N
Compound name
(5-amino-2-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

157.02943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 128.7
[M+Na]+ 180.01865 138.4
[M-H]- 156.02215 131.1
[M+NH4]+ 175.06325 149.8
[M+K]+ 195.99259 134.1
[M+H-H2O]+ 140.02669 124.7
[M+HCOO]- 202.02763 148.5
[M+CH3COO]- 216.04328 174.9
[M+Na-2H]- 178.00410 134.8
[M]+ 157.02888 128.4
[M]- 157.02998 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